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

Systemtic Name: [4-(1,5-diphenylpentan-3-yl)-3-oxidanylidene-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-oxo-4-(1-phenethyl-3-phenyl-propyl)-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1,5-diphenylpentan-3-yl)-3-oxo-2-phenyl-1,4-diazepan-1-yl] ester IUPAC Name: [4-(1,5-diphenylpentan-3-yl)-3-oxo-2-phenyl-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-4-(1-phenethyl-3-phenyl-propyl)-2-phenyl-1,4-diazepan-1-yl] ester Formula: C38H42N2O6 MolecularWeight: 622.74988

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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(CCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCCN(C(=O)C2C3=CC=CC=C3)C(CCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C38H42N2O6/c1-43-33-26-31(27-34(44-2)36(33)45-3)38(42)46-40-25-13-24-39(37(41)35(40)30-18-11-6-12-19-30)32(22-20-28-14-7-4-8-15-28)23-21-29-16-9-5-10-17-29/h4-12,14-19,26-27,32,35H,13,20-25H2,1-3H3