[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C23H21N3O4/c1-15(23(29)25-19-8-5-6-17(12-19)14-24)30-22(28)13-21-20-9-4-3-7-18(20)10-11-26(21)16(2)27/h3-12,15,21H,13H2,1-2H3,(H,25,29)/t15-,21+/m0/s1