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

Systemtic Name: [4-(diphenylmethyl)-3-oxidanylidene-piperazin-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: (4-benzhydryl-3-oxo-piperazin-1-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(diphenylmethyl)-3-oxo-1-piperazinyl] ester IUPAC Name: (4-benzhydryl-3-oxopiperazin-1-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (4-benzhydryl-3-keto-piperazino) ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6/c1-32-22-16-21(17-23(33-2)26(22)34-3)27(31)35-28-14-15-29(24(30)18-28)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17,25H,14-15,18H2,1-3H3