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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-5-14-8-6-7-9-15(14)18-16-10-12(2)13(3)11-17(16)20(23)22(4)19(18)21(24)25/h6-11H,5H2,1-4H3,(H,24,25)