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

Systemtic Name: 1-[(3-ethoxyphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl(3-quinolyl)methyl]isonipecotic acid Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H26N2O3/c1-2-29-21-8-5-7-19(15-21)23(26-12-10-17(11-13-26)24(27)28)20-14-18-6-3-4-9-22(18)25-16-20/h3-9,14-17,23H,2,10-13H2,1H3,(H,27,28)