1-(2-cyclohexylethyl)-4-[3-(6-methoxy-3-methyl-quinolin-4-yl)-3-oxidanyl-propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-(2-cyclohexylethyl)-4-[3-(6-methoxy-3-methyl-quinolin-4-yl)-3-oxidanyl-propyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-cyclohexylethyl)-4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-(2-cyclohexylethyl)-4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-cyclohexylethyl)-4-[3-hydroxy-3-(6-methoxy-3-methylquinolin-4-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-cyclohexylethyl)-4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolyl)propyl]isonipecotic acid Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CCC4CCCCC4)C(=O)O)O)OC

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CCC4CCCCC4)C(=O)O)O)OC

InChI

InChI=1S/C28H40N2O4/c1-20-19-29-24-9-8-22(34-2)18-23(24)26(20)25(31)10-12-28(27(32)33)13-16-30(17-14-28)15-11-21-6-4-3-5-7-21/h8-9,18-19,21,25,31H,3-7,10-17H2,1-2H3,(H,32,33)