1-[(3,4-dimethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C25H27NO4/c1-29-22-11-10-19(16-23(22)30-2)24(26-14-12-18(13-15-26)25(27)28)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,16,18,24H,12-15H2,1-2H3,(H,27,28)