methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidine-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidine-3-carboxylate Openeye Name: methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)nipecotic acid methyl ester Formula: C28H30ClNO2 MolecularWeight: 447.9963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC1C2=CC=C(C=C2)Cl)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30ClNO2/c1-32-28(31)27-20-30(19-17-26(27)23-12-14-24(29)15-13-23)18-16-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25-27H,16-20H2,1H3/t26-,27?/m1/s1