1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

InChI

InChI=1S/C22H24ClNO5/c1-13(2)12-29-20-17(23)10-14(11-19(20)28-3)21(25)24-9-5-7-15-16(22(26)27)6-4-8-18(15)24/h4,6,8,10-11,13H,5,7,9,12H2,1-3H3,(H,26,27)