(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-phenethyl-nipecotamide Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCCN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-31-24-15-13-22(14-16-24)25-11-5-6-12-26(25)28-27(30)23-10-7-18-29(20-23)19-17-21-8-3-2-4-9-21/h2-6,8-9,11-16,23H,7,10,17-20H2,1H3,(H,28,30)/t23-/m0/s1