[4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-oxo-2-phenyl-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-2-phenyl-1,4-diazepan-1-yl] ester IUPAC Name: [4-(1,7-diphenylheptan-4-yl)-3-oxo-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-2-phenyl-4-[4-phenyl-1-(3-phenylpropyl)butyl]-1,4-diazepan-1-yl] ester Formula: C40H46N2O6 MolecularWeight: 650.80304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCCN(C(=O)C2C3=CC=CC=C3)C(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCCN(C(=O)C2C3=CC=CC=C3)C(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C40H46N2O6/c1-45-35-28-33(29-36(46-2)38(35)47-3)40(44)48-42-27-15-26-41(39(43)37(42)32-22-11-6-12-23-32)34(24-13-20-30-16-7-4-8-17-30)25-14-21-31-18-9-5-10-19-31/h4-12,16-19,22-23,28-29,34,37H,13-15,20-21,24-27H2,1-3H3