[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-14(2)8-10-21-19(24)13-26-20(25)12-18-17-7-5-4-6-16(17)9-11-22(18)15(3)23/h4-7,9,11,14,18H,8,10,12-13H2,1-3H3,(H,21,24)