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

Systemtic Name: 1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-naphthalenyl-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

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