[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H20N2O4/c1-4-17(2,3)19-14(20)10-23-16(22)13-9-11-7-5-6-8-12(11)15(21)18-13/h5-9H,4,10H2,1-3H3,(H,18,21)(H,19,20)