6,7-dimethyl-1-oxidanylidene-4-phenyl-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethyl-1-oxidanylidene-4-phenyl-2H-isoquinoline-3-carboxylic acid Openeye Name: 6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid CAS Name: 6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid IUPAC Name: 6,7-dimethyl-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid Traditional Name: 1-keto-6,7-dimethyl-4-phenyl-2H-isoquinoline-3-carboxylic acid Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H15NO3/c1-10-8-13-14(9-11(10)2)17(20)19-16(18(21)22)15(13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)(H,21,22)