2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propanoic acid

Systemtic Name: 2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propanoic acid Openeye Name: 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid CAS Name: 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid IUPAC Name: 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid Traditional Name: 2-(1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C(=O)O)N1CCC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO3/c1-8(12(15)16)13-7-6-9-4-2-3-5-10(9)11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)