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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-2-anilino-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-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-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-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15(22(27)23-18-9-4-3-5-10-18)28-21(26)14-20-19-11-7-6-8-17(19)12-13-24(20)16(2)25/h3-13,15,20H,14H2,1-2H3,(H,23,27)/t15-,20+/m0/s1