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

Systemtic Name: [4-(1,5-diphenylpentan-3-yl)-3-oxidanylidene-piperazin-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-oxo-4-(1-phenethyl-3-phenyl-propyl)piperazin-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1,5-diphenylpentan-3-yl)-3-oxo-1-piperazinyl] ester IUPAC Name: [4-(1,5-diphenylpentan-3-yl)-3-oxopiperazin-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-4-(1-phenethyl-3-phenyl-propyl)piperazino] ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O6/c1-36-27-20-25(21-28(37-2)30(27)38-3)31(35)39-32-18-19-33(29(34)22-32)26(16-14-23-10-6-4-7-11-23)17-15-24-12-8-5-9-13-24/h4-13,20-21,26H,14-19,22H2,1-3H3