2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-4-pyridyl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-4-pyridinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-4-pyridyl]amino]-2-keto-acetic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1NC(=O)C(=O)O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CN=C(C=C1NC(=O)C(=O)O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H17N3O3/c1-11-9-18-15(8-14(11)19-16(21)17(22)23)20-7-6-12-4-2-3-5-13(12)10-20/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)(H,18,19,21)