1-[1-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[6-methyl-2-(4-pyridyl)quinoline-4-carbonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[(6-methyl-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(6-methyl-2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[6-methyl-2-(4-pyridyl)quinoline-4-carbonyl]-4-piperidyl]nipecotic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(CC3)N4CCCC(C4)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(CC3)N4CCCC(C4)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C27H30N4O3/c1-18-4-5-24-22(15-18)23(16-25(29-24)19-6-10-28-11-7-19)26(32)30-13-8-21(9-14-30)31-12-2-3-20(17-31)27(33)34/h4-7,10-11,15-16,20-21H,2-3,8-9,12-14,17H2,1H3,(H,33,34)