[4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-oxo-4-[4-phenyl-1-(3-phenylpropyl)butyl]-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1,7-diphenylheptan-4-yl)-3-oxo-1,4-diazepan-1-yl] ester IUPAC Name: [4-(1,7-diphenylheptan-4-yl)-3-oxo-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-4-[4-phenyl-1-(3-phenylpropyl)butyl]-1,4-diazepan-1-yl] ester Formula: C34H42N2O6 MolecularWeight: 574.70708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCCN(C(=O)C2)C(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCCN(C(=O)C2)C(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C34H42N2O6/c1-39-30-23-28(24-31(40-2)33(30)41-3)34(38)42-35-21-12-22-36(32(37)25-35)29(19-10-17-26-13-6-4-7-14-26)20-11-18-27-15-8-5-9-16-27/h4-9,13-16,23-24,29H,10-12,17-22,25H2,1-3H3