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

Systemtic Name: 2-[3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]phenoxy]ethanoic acid Openeye Name: 2-[3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenoxy]acetic acid CAS Name: 2-[3-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]phenoxy]acetic acid Traditional Name: 2-[3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenoxy]acetic acid Formula: C26H22ClN3O5 MolecularWeight: 491.92298

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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)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O5/c1-30-22(14-28-26(34)29-18-8-5-9-19(13-18)35-15-23(31)32)24(16-6-3-2-4-7-16)21-12-17(27)10-11-20(21)25(30)33/h2-13H,14-15H2,1H3,(H,31,32)(H2,28,29,34)