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

Systemtic Name: tert-butyl (3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-3-(pentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxo-ethoxy]-3-(pentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[oxo-(pentylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-(pentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(amylcarbamoyl)-7-[2-(hydroxyamino)-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)OCC(=O)NO

Isomeric SMILES

CCCCCNC(=O)[C@@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)OCC(=O)NO

InChI

InChI=1S/C22H33N3O6/c1-5-6-7-10-23-20(27)18-12-15-8-9-17(30-14-19(26)24-29)11-16(15)13-25(18)21(28)31-22(2,3)4/h8-9,11,18,29H,5-7,10,12-14H2,1-4H3,(H,23,27)(H,24,26)/t18-/m0/s1