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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-quinolyl)methyl]pipecolinic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C25H28N2O4/c1-3-31-23-15-18(11-12-22(23)30-2)24(27-13-7-6-10-21(27)25(28)29)19-14-17-8-4-5-9-20(17)26-16-19/h4-5,8-9,11-12,14-16,21,24H,3,6-7,10,13H2,1-2H3,(H,28,29)