1-[(4-propan-2-ylphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-cumenyl(3-quinolyl)methyl]isonipecotic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-17(2)18-7-9-19(10-8-18)24(27-13-11-20(12-14-27)25(28)29)22-15-21-5-3-4-6-23(21)26-16-22/h3-10,15-17,20,24H,11-14H2,1-2H3,(H,28,29)