(3,5-dimethylphenyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxylic acid (3,5-dimethylphenyl) ester Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H21NO4/c1-16-12-17(2)14-20(13-16)30-25(28)23-15-26(18-8-10-19(29-3)11-9-18)24(27)22-7-5-4-6-21(22)23/h4-15H,1-3H3