methyl 4-[[4-(2,2-diphenylethanoyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2,2-diphenylethanoyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,2-diphenylacetyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,2-diphenylacetyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2,2-diphenylacetyl)piperazino]methyl]benzoic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-32-27(31)24-14-12-21(13-15-24)20-28-16-18-29(19-17-28)26(30)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3