(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperazin-1-yl]methanone Openeye Name: (E)-4-methoxy-4-oxo-but-2-enoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperazin-1-yl]methanone CAS Name: (E)-4-methoxy-4-oxo-2-butenoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (E)-4-methoxy-4-oxobut-2-enoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperazin-1-yl]methanone Traditional Name: (E)-4-keto-4-methoxy-but-2-enoic acid; (4-methoxyphenyl)-[4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperazino]methanone Formula: C31H35N3O9 MolecularWeight: 593.6243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC=C3)C4=CC(=C(C(=C4)OC)OC)OC.COC(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC=C3)C4=CC(=C(C(=C4)OC)OC)OC.COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C26H29N3O5.C5H6O4/c1-31-21-7-5-18(6-8-21)26(30)29-13-11-28(12-14-29)20-9-10-27-22(17-20)19-15-23(32-2)25(34-4)24(16-19)33-3;1-9-5(8)3-2-4(6)7/h5-10,15-17H,11-14H2,1-4H3;2-3H,1H3,(H,6,7)/b;3-2+