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

Systemtic Name: (3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-7-[2-(hydroxyamino)-2-oxo-ethoxy]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-7-[2-(hydroxyamino)-2-keto-ethoxy]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)OCC(=O)NO)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](NCC2=C1C=CC(=C2)OCC(=O)NO)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c24-19(23-26)13-27-17-7-6-15-11-18(22-12-16(15)10-17)20(25)21-9-8-14-4-2-1-3-5-14/h1-7,10,18,22,26H,8-9,11-13H2,(H,21,25)(H,23,24)/t18-/m0/s1