2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-6-methoxy-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-6-methoxy-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-6-methoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-6-methoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-6-methoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylbenzyl)-3-(2,4-dichlorophenyl)-1-keto-6-methoxy-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C28H27Cl2NO4 MolecularWeight: 512.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(C(C3=C(C2=O)C=CC(=C3)OC)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(C(C3=C(C2=O)C=CC(=C3)OC)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H27Cl2NO4/c1-28(2,3)17-7-5-16(6-8-17)15-31-25(21-11-9-18(29)13-23(21)30)24(27(33)34)22-14-19(35-4)10-12-20(22)26(31)32/h5-14,24-25H,15H2,1-4H3,(H,33,34)