methyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]amino]acetic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)OC)C

InChI

InChI=1S/C21H20N2O4/c1-13-8-9-15(10-14(13)2)23-12-18(20(25)22-11-19(24)27-3)16-6-4-5-7-17(16)21(23)26/h4-10,12H,11H2,1-3H3,(H,22,25)