2-(7-methyl-3-oxidanylidene-2,4-dihydro-1H-isoquinolin-6-yl)ethanoic acid

Systemtic Name: 2-(7-methyl-3-oxidanylidene-2,4-dihydro-1H-isoquinolin-6-yl)ethanoic acid Openeye Name: 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetic acid CAS Name: 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetic acid IUPAC Name: 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetic acid Traditional Name: 2-(3-keto-7-methyl-2,4-dihydro-1H-isoquinolin-6-yl)acetic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(=O)NCC2=C1)CC(=O)O

Isomeric SMILES

CC1=C(C=C2CC(=O)NCC2=C1)CC(=O)O

InChI

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