2-[6-chloranyl-4-(4-chlorophenyl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]pentanoic acid

Systemtic Name: 2-[6-chloranyl-4-(4-chlorophenyl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]pentanoic acid Openeye Name: 2-[6-chloro-4-(4-chlorophenyl)-1-ethyl-2-oxo-3-quinolyl]pentanoic acid CAS Name: 2-[6-chloro-4-(4-chlorophenyl)-1-ethyl-2-oxo-3-quinolinyl]pentanoic acid IUPAC Name: 2-[6-chloro-4-(4-chlorophenyl)-1-ethyl-2-oxoquinolin-3-yl]pentanoic acid Traditional Name: 2-[6-chloro-4-(4-chlorophenyl)-1-ethyl-2-keto-3-quinolyl]valeric acid Formula: C22H21Cl2NO3 MolecularWeight: 418.31304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCC(C1=C(C2=C(C=CC(=C2)Cl)N(C1=O)CC)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H21Cl2NO3/c1-3-5-16(22(27)28)20-19(13-6-8-14(23)9-7-13)17-12-15(24)10-11-18(17)25(4-2)21(20)26/h6-12,16H,3-5H2,1-2H3,(H,27,28)