1-[2-(4-chlorophenyl)-3-methyl-butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)-3-methyl-butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)-3-methyl-butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-(4-chlorophenyl)-3-methyl-1-oxobutyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)-3-methylbutanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(4-chlorophenyl)-3-methyl-butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C21H22ClNO3/c1-13(2)19(14-8-10-15(22)11-9-14)20(24)23-12-4-6-16-17(21(25)26)5-3-7-18(16)23/h3,5,7-11,13,19H,4,6,12H2,1-2H3,(H,25,26)