[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C24H25NO4/c1-4-18-9-11-20(12-10-18)24(28)16(2)29-23(27)15-22-21-8-6-5-7-19(21)13-14-25(22)17(3)26/h5-14,16,22H,4,15H2,1-3H3