2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-[4-chloro-3-(trifluoromethyl)benzyl]-3-(2,4-dichlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H15Cl3F3NO3 MolecularWeight: 528.73501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C24H15Cl3F3NO3/c25-13-6-7-16(19(27)10-13)21-20(23(33)34)14-3-1-2-4-15(14)22(32)31(21)11-12-5-8-18(26)17(9-12)24(28,29)30/h1-10,20-21H,11H2,(H,33,34)