2-[(2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo-(2-oxo-1,3-dihydroimidazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-keto-4-imidazoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNC(=O)N3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNC(=O)N3)C(=O)O

InChI

InChI=1S/C14H13N3O4/c18-12(10-6-15-14(21)16-10)17-7-9-4-2-1-3-8(9)5-11(17)13(19)20/h1-4,6,11H,5,7H2,(H,19,20)(H2,15,16,21)