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

Systemtic Name: 1-[4-(4-chloranyl-3-methyl-phenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(4-chloro-3-methyl-phenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(4-chloro-3-methylphenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(4-chloro-3-methyl-phenoxy)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)Cl

InChI

InChI=1S/C21H22ClNO4/c1-14-13-15(9-10-18(14)22)27-12-4-8-20(24)23-11-3-6-16-17(21(25)26)5-2-7-19(16)23/h2,5,7,9-10,13H,3-4,6,8,11-12H2,1H3,(H,25,26)