4-(2-ethylphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(2-ethylphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(2-ethylphenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(2-ethylphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(2-ethylphenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C19H17NO3/c1-3-12-8-4-5-9-13(12)16-14-10-6-7-11-15(14)18(21)20(2)17(16)19(22)23/h4-11H,3H2,1-2H3,(H,22,23)