2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H13NO3/c1-18-15(17(20)21)14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)16(18)19/h2-10H,1H3,(H,20,21)