tert-butyl (3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxo-ethoxy]-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[anilino(oxo)methyl]-7-[2-(hydroxyamino)-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-7-[2-(hydroxyamino)-2-keto-ethoxy]-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC3=CC=CC=C3)C=CC(=C2)OCC(=O)NO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)NC3=CC=CC=C3)C=CC(=C2)OCC(=O)NO

InChI

InChI=1S/C23H27N3O6/c1-23(2,3)32-22(29)26-13-16-11-18(31-14-20(27)25-30)10-9-15(16)12-19(26)21(28)24-17-7-5-4-6-8-17/h4-11,19,30H,12-14H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1