(phenylmethyl) 5-azanyl-6-(2-butyl-2-nonanoyl-hydrazinyl)-6-oxidanylidene-hexanoate hydrochloride

Systemtic Name: (phenylmethyl) 5-azanyl-6-(2-butyl-2-nonanoyl-hydrazinyl)-6-oxidanylidene-hexanoate hydrochloride Openeye Name: benzyl 5-amino-6-(2-butyl-2-nonanoyl-hydrazino)-6-oxo-hexanoate hydrochloride CAS Name: 5-amino-6-[2-butyl-2-(1-oxononyl)hydrazinyl]-6-oxohexanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-amino-6-(2-butyl-2-nonanoylhydrazinyl)-6-oxohexanoate hydrochloride Traditional Name: 5-amino-6-(N'-butyl-N'-pelargonyl-hydrazino)-6-keto-hexanoic acid benzyl ester hydrochloride Formula: C26H44ClN3O4 MolecularWeight: 498.09826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N(CCCC)NC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N.Cl

Isomeric SMILES

CCCCCCCCC(=O)N(CCCC)NC(=O)C(CCCC(=O)OCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C26H43N3O4.ClH/c1-3-5-7-8-9-13-18-24(30)29(20-6-4-2)28-26(32)23(27)17-14-19-25(31)33-21-22-15-11-10-12-16-22;/h10-12,15-16,23H,3-9,13-14,17-21,27H2,1-2H3,(H,28,32);1H