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

Systemtic Name: ethyl 3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]benzoate CAS Name: 3-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]benzoate Traditional Name: 3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]benzoic acid ethyl ester Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O4/c1-3-35-26(33)18-10-7-11-20(14-18)30-27(34)29-16-23-24(17-8-5-4-6-9-17)22-15-19(28)12-13-21(22)25(32)31(23)2/h4-15H,3,16H2,1-2H3,(H2,29,30,34)