1-[(3-ethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl(1-naphthyl)methyl]isonipecotic acid Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-2-29-21-10-5-9-20(17-21)24(26-15-13-19(14-16-26)25(27)28)23-12-6-8-18-7-3-4-11-22(18)23/h3-12,17,19,24H,2,13-16H2,1H3,(H,27,28)