[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-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-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

CC(C)NC(=O)COC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C18H22N2O4/c1-12(2)19-17(22)11-24-18(23)10-16-15-7-5-4-6-14(15)8-9-20(16)13(3)21/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)/t16-/m1/s1