2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylbenzyl)-3-(2,4-dichlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C27H25Cl2NO3 MolecularWeight: 482.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H25Cl2NO3/c1-27(2,3)17-10-8-16(9-11-17)15-30-24(21-13-12-18(28)14-22(21)29)23(26(32)33)19-6-4-5-7-20(19)25(30)31/h4-14,23-24H,15H2,1-3H3,(H,32,33)