[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-2-(4-carbamoylanilino)-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-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-carbamoylanilino)-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-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-14(23(30)25-18-9-7-17(8-10-18)22(24)29)31-21(28)13-20-19-6-4-3-5-16(19)11-12-26(20)15(2)27/h3-12,14,20H,13H2,1-2H3,(H2,24,29)(H,25,30)/t14-,20+/m0/s1