[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H20N2O4/c1-10(14(20)19-17(2,3)4)23-16(22)13-9-11-7-5-6-8-12(11)15(21)18-13/h5-10H,1-4H3,(H,18,21)(H,19,20)/t10-/m1/s1