(3S)-N-hexyl-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-hexyl-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-hexyl-7-[2-(hydroxyamino)-2-oxo-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-hexyl-7-[2-(hydroxyamino)-2-oxoethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-hexyl-7-[2-(hydroxyamino)-2-oxoethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-hexyl-7-[2-(hydroxyamino)-2-keto-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

Isomeric SMILES

CCCCCCNC(=O)[C@@H]1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

InChI

InChI=1S/C18H27N3O4/c1-2-3-4-5-8-19-18(23)16-10-13-6-7-15(9-14(13)11-20-16)25-12-17(22)21-24/h6-7,9,16,20,24H,2-5,8,10-12H2,1H3,(H,19,23)(H,21,22)/t16-/m0/s1