2-oxidanylidenepropyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: acetonyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid acetonyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C)C

InChI

InChI=1S/C21H19NO3/c1-13-8-9-16(10-14(13)2)20-11-18(21(24)25-12-15(3)23)17-6-4-5-7-19(17)22-20/h4-11H,12H2,1-3H3