[2-ethoxy-4-[7-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate

Systemtic Name: [2-ethoxy-4-[7-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate Openeye Name: [2-ethoxy-4-[7-oxo-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate CAS Name: acetic acid [2-ethoxy-4-[7-oxo-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester IUPAC Name: [2-ethoxy-4-[7-oxo-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate Traditional Name: acetic acid [2-ethoxy-4-[7-keto-9-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester Formula: C32H34N2O7 MolecularWeight: 558.62156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5N2)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5N2)OC(=O)C

InChI

InChI=1S/C32H34N2O7/c1-6-40-27-15-19(11-12-26(27)41-18(2)35)31-30-24(33-22-9-7-8-10-23(22)34-31)13-20(14-25(30)36)21-16-28(37-3)32(39-5)29(17-21)38-4/h7-12,15-17,20,31,33-34H,6,13-14H2,1-5H3