ethyl 5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methyl-benzoate

Systemtic Name: ethyl 5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methyl-benzoate Openeye Name: ethyl 5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methyl-benzoate CAS Name: 5-[4-(2,2-diphenylethyl)-1-piperazinyl]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzoate Traditional Name: 5-[4-(2,2-diphenylethyl)piperazino]-2-methyl-benzoic acid ethyl ester Formula: C28H32N2O2 MolecularWeight: 428.56588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O2/c1-3-32-28(31)26-20-25(15-14-22(26)2)30-18-16-29(17-19-30)21-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,27H,3,16-19,21H2,1-2H3