2-[3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenyl]acetic acid Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C26H22ClN3O4/c1-30-22(15-28-26(34)29-19-9-5-6-16(12-19)13-23(31)32)24(17-7-3-2-4-8-17)21-14-18(27)10-11-20(21)25(30)33/h2-12,14H,13,15H2,1H3,(H,31,32)(H2,28,29,34)