2-[2-[[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-6-(2-pyridin-2-ylethanoylamino)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-6-(2-pyridin-2-ylethanoylamino)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-[[2-(2-pyridyl)acetyl]amino]-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-1H-quinolin-4-yl]oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-6-[(2-pyridin-2-ylacetyl)amino]-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-2-keto-6-[[2-(2-pyridyl)acetyl]amino]-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C32H33ClN4O5 MolecularWeight: 589.08122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)CC4=CC=CC=N4)OCCC5CCCCN5C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)CC4=CC=CC=N4)OCCC5CCCCN5C(=O)O)C

InChI

InChI=1S/C32H33ClN4O5/c1-19-13-20(2)15-21(14-19)29-30(42-12-9-23-8-4-6-11-37(23)32(40)41)24-17-27(25(33)18-26(24)36-31(29)39)35-28(38)16-22-7-3-5-10-34-22/h3,5,7,10,13-15,17-18,23H,4,6,8-9,11-12,16H2,1-2H3,(H,35,38)(H,36,39)(H,40,41)