1-[(3-ethoxy-4-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C26H29NO4/c1-3-31-24-17-20(11-12-23(24)30-2)25(27-15-13-19(14-16-27)26(28)29)22-10-6-8-18-7-4-5-9-21(18)22/h4-12,17,19,25H,3,13-16H2,1-2H3,(H,28,29)