4-oxidanylidene-2-(phenylmethyl)-1,3-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-1,3-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-4-oxo-1,3-dihydroisoquinoline-3-carboxylic acid CAS Name: 4-oxo-2-(phenylmethyl)-1,3-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-benzyl-4-oxo-1,3-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-4-keto-1,3-dihydroisoquinoline-3-carboxylic acid Formula: C17H15NO3 MolecularWeight: 281.3059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C(N1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C(N1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(15(16)17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)