[4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-piperazin-1-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(1,7-diphenylheptan-4-yl)-3-oxidanylidene-piperazin-1-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-oxo-4-[4-phenyl-1-(3-phenylpropyl)butyl]piperazin-1-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1,7-diphenylheptan-4-yl)-3-oxo-1-piperazinyl] ester IUPAC Name: [4-(1,7-diphenylheptan-4-yl)-3-oxopiperazin-1-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-keto-4-[4-phenyl-1-(3-phenylpropyl)butyl]piperazino] ester Formula: C33H40N2O6 MolecularWeight: 560.6805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)ON2CCN(C(=O)C2)C(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C33H40N2O6/c1-38-29-22-27(23-30(39-2)32(29)40-3)33(37)41-34-20-21-35(31(36)24-34)28(18-10-16-25-12-6-4-7-13-25)19-11-17-26-14-8-5-9-15-26/h4-9,12-15,22-23,28H,10-11,16-21,24H2,1-3H3