4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-[3-(3-methylphenyl)prop-2-ynyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-[3-(3-methylphenyl)prop-2-ynyl]piperidine-3-carboxylic acid Openeye Name: 4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(m-tolyl)prop-2-ynyl]piperidine-3-carboxylic acid CAS Name: 4-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(3-methylphenyl)prop-2-ynyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(3-methylphenyl)prop-2-ynyl]piperidine-3-carboxylic acid Traditional Name: 4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(m-tolyl)prop-2-ynyl]nipecotic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCN2CCC(C(C2)C(=O)O)CCC(C3=C4C=C(C=CC4=NC=C3)OC)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CCN2CCC(C(C2)C(=O)O)CCC(C3=C4C=C(C=CC4=NC=C3)OC)O

InChI

InChI=1S/C29H32N2O4/c1-20-5-3-6-21(17-20)7-4-15-31-16-13-22(26(19-31)29(33)34)8-11-28(32)24-12-14-30-27-10-9-23(35-2)18-25(24)27/h3,5-6,9-10,12,14,17-18,22,26,28,32H,8,11,13,15-16,19H2,1-2H3,(H,33,34)