2-chloranyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxypropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxypropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid Formula: C28H23ClN2O6 MolecularWeight: 518.94502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C28H23ClN2O6/c1-15-8-10-17(11-9-15)23-19-6-4-5-7-20(19)26(33)31(3)24(23)28(36)37-16(2)25(32)30-18-12-13-22(29)21(14-18)27(34)35/h4-14,16H,1-3H3,(H,30,32)(H,34,35)