[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(1-ethylpropylamino)-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-4-16(5-2)21-19(24)13-26-20(25)12-18-17-9-7-6-8-15(17)10-11-22(18)14(3)23/h6-11,16,18H,4-5,12-13H2,1-3H3,(H,21,24)/t18-/m1/s1