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

Systemtic Name: 2-ethyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-ethyl-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-ethyl-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-4-21-18(20(23)24)17(14-8-6-5-7-9-14)15-10-12(2)13(3)11-16(15)19(21)22/h5-11H,4H2,1-3H3,(H,23,24)