1-[[6-(4-phenylbutoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[6-(4-phenylbutoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-(4-phenylbutoxy)-2-naphthyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[6-(4-phenylbutoxy)-2-naphthalenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[6-(4-phenylbutoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-(4-phenylbutoxy)-2-naphthyl]methyl]isonipecotic acid Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)C=C(C=C3)OCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)C=C(C=C3)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO3/c29-27(30)23-13-15-28(16-14-23)20-22-9-10-25-19-26(12-11-24(25)18-22)31-17-5-4-8-21-6-2-1-3-7-21/h1-3,6-7,9-12,18-19,23H,4-5,8,13-17,20H2,(H,29,30)