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

Systemtic Name: 2-butyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-butyl-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-butyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-butyl-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-butyl-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23NO3/c1-4-5-11-23-20(22(25)26)19(16-9-7-6-8-10-16)17-12-14(2)15(3)13-18(17)21(23)24/h6-10,12-13H,4-5,11H2,1-3H3,(H,25,26)