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

Systemtic Name: 4-chloranyl-3-[2-(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbonyloxypropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-(2-methyl-1-oxo-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(2-methyl-1-oxo-4-phenylisoquinoline-3-carbonyl)oxypropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-(1-keto-2-methyl-4-phenyl-isoquinoline-3-carbonyl)oxypropanoylamino]benzoic acid Formula: C27H21ClN2O6 MolecularWeight: 504.91844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2O6/c1-15(24(31)29-21-14-17(26(33)34)12-13-20(21)28)36-27(35)23-22(16-8-4-3-5-9-16)18-10-6-7-11-19(18)25(32)30(23)2/h3-15H,1-2H3,(H,29,31)(H,33,34)