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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C)C)C

InChI

InChI=1S/C24H25NO4/c1-15-11-17(3)21(12-16(15)2)23(27)14-29-24(28)13-22-20-8-6-5-7-19(20)9-10-25(22)18(4)26/h5-12,22H,13-14H2,1-4H3/t22-/m1/s1