[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-19(2,3)21-15(23)10-22(4)16(24)11-27-18(26)14-9-12-7-5-6-8-13(12)17(25)20-14/h5-9H,10-11H2,1-4H3,(H,20,25)(H,21,23)