ethyl 4-[(E)-[2-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(E)-[2-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-[2-(4-bromophenyl)-1-(2-morpholinoethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-[2-(4-bromophenyl)-1-[2-(4-morpholinyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-[2-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-[2-(4-bromophenyl)-4,5-diketo-1-(2-morpholinoethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C26H30BrN3O6 MolecularWeight: 560.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)Br)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)Br)/O)C

InChI

InChI=1S/C26H30BrN3O6/c1-4-36-26(34)21-15(2)19(16(3)28-21)23(31)20-22(17-5-7-18(27)8-6-17)30(25(33)24(20)32)10-9-29-11-13-35-14-12-29/h5-8,22,28,31H,4,9-14H2,1-3H3/b23-20+