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

Systemtic Name: (phenylmethyl) 5-azanyl-6-(2-dodecanoyl-2-pentyl-hydrazinyl)-6-oxidanylidene-hexanoate hydrochloride Openeye Name: benzyl 5-amino-6-(2-dodecanoyl-2-pentyl-hydrazino)-6-oxo-hexanoate hydrochloride CAS Name: 5-amino-6-oxo-6-[2-(1-oxododecyl)-2-pentylhydrazinyl]hexanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-amino-6-(2-dodecanoyl-2-pentylhydrazinyl)-6-oxohexanoate hydrochloride Traditional Name: 5-amino-6-(N'-amyl-N'-lauroyl-hydrazino)-6-keto-hexanoic acid benzyl ester hydrochloride Formula: C30H52ClN3O4 MolecularWeight: 554.20458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51N3O4.ClH/c1-3-5-7-8-9-10-11-12-16-22-28(34)33(24-17-6-4-2)32-30(36)27(31)21-18-23-29(35)37-25-26-19-14-13-15-20-26;/h13-15,19-20,27H,3-12,16-18,21-25,31H2,1-2H3,(H,32,36);1H