(phenylmethyl) 2-[4-(2-azanylpentanoyloxyamino)-4-oxidanylidene-butyl]tridecanoate hydrochloride

Systemtic Name: (phenylmethyl) 2-[4-(2-azanylpentanoyloxyamino)-4-oxidanylidene-butyl]tridecanoate hydrochloride Openeye Name: benzyl 2-[4-(2-aminopentanoyloxyamino)-4-oxo-butyl]tridecanoate hydrochloride CAS Name: 2-[4-[(2-amino-1-oxopentoxy)amino]-4-oxobutyl]tridecanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[4-(2-aminopentanoyloxyamino)-4-oxobutyl]tridecanoate hydrochloride Traditional Name: 2-[4-(2-aminopentanoyloxyamino)-4-keto-butyl]tridecanoic acid benzyl ester hydrochloride Formula: C29H49ClN2O5 MolecularWeight: 541.16276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCC(=O)NOC(=O)C(CCC)N)C(=O)OCC1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCCCCCCC(CCCC(=O)NOC(=O)C(CCC)N)C(=O)OCC1=CC=CC=C1.Cl

InChI

InChI=1S/C29H48N2O5.ClH/c1-3-5-6-7-8-9-10-11-15-20-25(28(33)35-23-24-18-13-12-14-19-24)21-16-22-27(32)31-36-29(34)26(30)17-4-2;/h12-14,18-19,25-26H,3-11,15-17,20-23,30H2,1-2H3,(H,31,32);1H