1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-naphthalenyl-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(2-naphthyl)methyl]nipecotic acid Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H29NO3/c32-30(33)26-13-8-18-31(20-26)29(25-17-16-23-11-4-5-12-24(23)19-25)27-14-6-7-15-28(27)34-21-22-9-2-1-3-10-22/h1-7,9-12,14-17,19,26,29H,8,13,18,20-21H2,(H,32,33)