[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C)C

InChI

InChI=1S/C25H27NO4/c1-15-12-17(3)22(13-16(15)2)25(29)18(4)30-24(28)14-23-21-9-7-6-8-20(21)10-11-26(23)19(5)27/h6-13,18,23H,14H2,1-5H3