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

Systemtic Name: 1-(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-butoxy-3-chloro-5-methoxy-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(4-butoxy-3-chloro-5-methoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(4-butoxy-3-chloro-5-methoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(4-butoxy-3-chloro-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:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC

InChI

InChI=1S/C22H24ClNO5/c1-3-4-11-29-20-17(23)12-14(13-19(20)28-2)21(25)24-10-6-8-15-16(22(26)27)7-5-9-18(15)24/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,26,27)