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

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OC

InChI

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