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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC

InChI

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