O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride

Systemtic Name: O1-(4-naphthalen-2-ylbutanoylamino) O6-(phenylmethyl) 2-azanylhexanedioate hydrochloride Openeye Name: O6-benzyl O1-[4-(2-naphthyl)butanoylamino] 2-aminohexanedioate hydrochloride CAS Name: 2-aminohexanedioic acid O1-[[4-(2-naphthalenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester hydrochloride IUPAC Name: 6-O-benzyl 1-O-(4-naphthalen-2-ylbutanoylamino) 2-aminohexanedioate hydrochloride Traditional Name: 2-aminoadipic acid O6-benzyl ester O1-[4-(2-naphthyl)butanoylamino] ester hydrochloride Formula: C27H31ClN2O5 MolecularWeight: 498.99844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2)N.Cl

InChI

InChI=1S/C27H30N2O5.ClH/c28-24(13-7-15-26(31)33-19-21-8-2-1-3-9-21)27(32)34-29-25(30)14-6-10-20-16-17-22-11-4-5-12-23(22)18-20;/h1-5,8-9,11-12,16-18,24H,6-7,10,13-15,19,28H2,(H,29,30);1H