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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-quinolyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

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

InChI

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