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

Systemtic Name: (phenylmethyl) 5-azanyl-6-(2-nonanoyl-2-pentyl-hydrazinyl)-6-oxidanylidene-hexanoate hydrochloride Openeye Name: benzyl 5-amino-6-(2-nonanoyl-2-pentyl-hydrazino)-6-oxo-hexanoate hydrochloride CAS Name: 5-amino-6-oxo-6-[2-(1-oxononyl)-2-pentylhydrazinyl]hexanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-amino-6-(2-nonanoyl-2-pentylhydrazinyl)-6-oxohexanoate hydrochloride Traditional Name: 5-amino-6-(N'-amyl-N'-pelargonyl-hydrazino)-6-keto-hexanoic acid benzyl ester hydrochloride Formula: C27H46ClN3O4 MolecularWeight: 512.12484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O4.ClH/c1-3-5-7-8-9-13-19-25(31)30(21-14-6-4-2)29-27(33)24(28)18-15-20-26(32)34-22-23-16-11-10-12-17-23;/h10-12,16-17,24H,3-9,13-15,18-22,28H2,1-2H3,(H,29,33);1H