2-[4-[3-[bis[2-[[(Z)-[1-(2-methoxyethyl)-2,3-bis(oxidanylidene)pyridin-4-ylidene]-oxidanyl-methyl]amino]ethyl]amino]-2-[[(E)-[1-(2-methoxyethyl)-2,3-bis(oxidanylidene)pyridin-4-ylidene]-oxidanyl-methyl]amino]propyl]phenoxy]ethanoic acid; gadolinium(3+)

Systemtic Name: 2-[4-[3-[bis[2-[[(Z)-[1-(2-methoxyethyl)-2,3-bis(oxidanylidene)pyridin-4-ylidene]-oxidanyl-methyl]amino]ethyl]amino]-2-[[(E)-[1-(2-methoxyethyl)-2,3-bis(oxidanylidene)pyridin-4-ylidene]-oxidanyl-methyl]amino]propyl]phenoxy]ethanoic acid; gadolinium(3+) Openeye Name: 2-[4-[3-[bis[2-[[(Z)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxo-4-pyridylidene]methyl]amino]ethyl]amino]-2-[[(E)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxo-4-pyridylidene]methyl]amino]propyl]phenoxy]acetic acid; gadolinium(3+) CAS Name: 2-[4-[3-[bis[2-[[(Z)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxo-4-pyridinylidene]methyl]amino]ethyl]amino]-2-[[(E)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxo-4-pyridinylidene]methyl]amino]propyl]phenoxy]acetic acid; gadolinium(3+) IUPAC Name: 2-[4-[3-[bis[2-[[(Z)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxopyridin-4-ylidene]methyl]amino]ethyl]amino]-2-[[(E)-hydroxy-[1-(2-methoxyethyl)-2,3-dioxopyridin-4-ylidene]methyl]amino]propyl]phenoxy]acetic acid; gadolinium(3+) Traditional Name: 2-[4-[3-[bis[2-[[(Z)-[2,3-diketo-1-(2-methoxyethyl)-4-pyridylidene]-hydroxy-methyl]amino]ethyl]amino]-2-[[(E)-[2,3-diketo-1-(2-methoxyethyl)-4-pyridylidene]-hydroxy-methyl]amino]propyl]phenoxy]acetic acid; gadolinium(3+) Formula: C42H53GdN7O15+3 MolecularWeight: 1053.15812

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=CC(=C(NCCN(CCNC(=C2C=CN(C(=O)C2=O)CCOC)O)CC(CC3=CC=C(C=C3)OCC(=O)O)NC(=C4C=CN(C(=O)C4=O)CCOC)O)O)C(=O)C1=O.[Gd+3]

Isomeric SMILES

COCCN1C(=O)C(=O)/C(=C(\O)/NCCN(CC(N/C(=C/2\C(=O)C(=O)N(C=C2)CCOC)/O)CC3=CC=C(C=C3)OCC(=O)O)CCN/C(=C\4/C(=O)C(=O)N(C=C4)CCOC)/O)/C=C1.[Gd+3]

InChI

InChI=1S/C42H53N7O15.Gd/c1-61-21-18-47-13-8-30(34(52)40(47)58)37(55)43-11-16-46(17-12-44-38(56)31-9-14-48(19-22-62-2)41(59)35(31)53)25-28(24-27-4-6-29(7-5-27)64-26-33(50)51)45-39(57)32-10-15-49(20-23-63-3)42(60)36(32)54;/h4-10,13-15,28,43-45,55-57H,11-12,16-26H2,1-3H3,(H,50,51);/q;+3/b37-30-,38-31-,39-32+;