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

Systemtic Name: 1-[naphthalen-1-yl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-naphthalenyl-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-1-yl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(1-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=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)O

InChI

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