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

Systemtic Name: [4-(diphenylmethyl)-3-oxidanylidene-1,4-diazepan-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: (4-benzhydryl-3-oxo-1,4-diazepan-1-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(diphenylmethyl)-3-oxo-1,4-diazepan-1-yl] ester IUPAC Name: (4-benzhydryl-3-oxo-1,4-diazepan-1-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (4-benzhydryl-3-keto-1,4-diazepan-1-yl) ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6/c1-33-23-17-22(18-24(34-2)27(23)35-3)28(32)36-29-15-10-16-30(25(31)19-29)26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,17-18,26H,10,15-16,19H2,1-3H3