2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]amino]acetic acid CAS Name: 2-[[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]amino]acetic acid Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]amino]acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-12-7-8-14(9-13(12)2)22-11-17(19(25)21-10-18(23)24)15-5-3-4-6-16(15)20(22)26/h3-9,11H,10H2,1-2H3,(H,21,25)(H,23,24)