(3S)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid CAS Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-1-keto-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Formula: C10H9NO3 MolecularWeight: 191.18336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=CC=CC=C21)C(=O)O

Isomeric SMILES

C1[C@H](NC(=O)C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)/t8-/m0/s1