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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(1-naphthyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC

InChI

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