[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C[C@H]2C3=CC=CC=C3C=CN2C(=O)C)C

InChI

InChI=1S/C23H23NO4/c1-15-8-9-19(12-16(15)2)22(26)14-28-23(27)13-21-20-7-5-4-6-18(20)10-11-24(21)17(3)25/h4-12,21H,13-14H2,1-3H3/t21-/m0/s1