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

Systemtic Name: 1-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-chloro-5-methoxy-4-propoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(3-chloro-5-methoxy-4-propoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(3-chloro-5-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-chloro-5-methoxy-4-propoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

InChI

InChI=1S/C21H22ClNO5/c1-3-10-28-19-16(22)11-13(12-18(19)27-2)20(24)23-9-5-7-14-15(21(25)26)6-4-8-17(14)23/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,25,26)