O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-[4-(4-heptylphenyl)butanoylamino] 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[[4-(4-heptylphenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-[4-(4-heptylphenyl)butanoylamino] 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-[4-(4-heptylphenyl)butanoylamino] ester hydrochloride Formula: C30H43ClN2O5 MolecularWeight: 547.12582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C30H42N2O5.ClH/c1-2-3-4-5-7-12-24-19-21-25(22-20-24)15-10-17-28(33)32-37-30(35)27(31)16-11-18-29(34)36-23-26-13-8-6-9-14-26;/h6,8-9,13-14,19-22,27H,2-5,7,10-12,15-18,23,31H2,1H3,(H,32,33);1H