1-[(3,4-dimethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(2-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=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

InChI

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