1-[(4-ethoxy-3-methoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC

InChI

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