2-(1-methyl-5-oxidanylidene-7,8-dihydro-6H-isoquinolin-6-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-5-oxidanylidene-7,8-dihydro-6H-isoquinolin-6-yl)ethanoic acid Openeye Name: 2-(1-methyl-5-oxo-7,8-dihydro-6H-isoquinolin-6-yl)acetic acid CAS Name: 2-(1-methyl-5-oxo-7,8-dihydro-6H-isoquinolin-6-yl)acetic acid IUPAC Name: 2-(1-methyl-5-oxo-7,8-dihydro-6H-isoquinolin-6-yl)acetic acid Traditional Name: 2-(5-keto-1-methyl-7,8-dihydro-6H-isoquinolin-6-yl)acetic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1CCC(C2=O)CC(=O)O

Isomeric SMILES

CC1=NC=CC2=C1CCC(C2=O)CC(=O)O

InChI

InChI=1S/C12H13NO3/c1-7-9-3-2-8(6-11(14)15)12(16)10(9)4-5-13-7/h4-5,8H,2-3,6H2,1H3,(H,14,15)