4-(2,6-dimethylphenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(2,6-dimethylphenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(2,6-dimethylphenyl)-2,6,7-trimethyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(2,6-dimethylphenyl)-2,6,7-trimethyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(2,6-dimethylphenyl)-2,6,7-trimethyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(2,6-dimethylphenyl)-1-keto-2,6,7-trimethyl-isoquinoline-3-carboxylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-11-7-6-8-12(2)17(11)18-15-9-13(3)14(4)10-16(15)20(23)22(5)19(18)21(24)25/h6-10H,1-5H3,(H,24,25)