ethyl (3S)-1-[(2-methoxy-4-oxidanyl-phenyl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-methoxy-4-oxidanyl-phenyl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(4-hydroxy-2-methoxy-phenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-hydroxy-2-methoxyphenyl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(4-hydroxy-2-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(4-hydroxy-2-methoxy-benzyl)nipecotic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=C(C=C(C=C2)O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=C(C=C(C=C2)O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4/c1-3-28-22(26)23(15-18-8-5-4-6-9-18)12-7-13-24(17-23)16-19-10-11-20(25)14-21(19)27-2/h4-6,8-11,14,25H,3,7,12-13,15-17H2,1-2H3/t23-/m0/s1