[2-methoxy-4-[9-(4-methoxyphenyl)-7-oxidanylidene-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[9-(4-methoxyphenyl)-7-oxidanylidene-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester IUPAC Name: [2-methoxy-4-[9-(4-methoxyphenyl)-7-oxo-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate Traditional Name: acetic acid [4-[7-keto-9-(4-methoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxy-phenyl] ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC)OC

InChI

InChI=1S/C29H28N2O5/c1-17(32)36-26-13-10-19(16-27(26)35-3)29-28-24(30-22-6-4-5-7-23(22)31-29)14-20(15-25(28)33)18-8-11-21(34-2)12-9-18/h4-14,16,20,28-31H,15H2,1-3H3