3-acetyloxy-4-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl-dimethyl-azaniumyl]butanoate

Systemtic Name: 3-acetyloxy-4-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl-dimethyl-azaniumyl]butanoate Openeye Name: 3-acetoxy-4-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl-dimethyl-ammonio]butanoate CAS Name: 3-acetyloxy-4-[[2-[[4-(4-methoxyphenyl)-1-oxobutyl]amino]ethoxy-oxomethyl]-dimethylammonio]butanoate IUPAC Name: 3-acetyloxy-4-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl-dimethylazaniumyl]butanoate Traditional Name: 3-acetoxy-4-[2-[4-(4-methoxyphenyl)butanoylamino]ethoxycarbonyl-dimethyl-ammonio]butyrate Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)OCCNC(=O)CCCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)OCCNC(=O)CCCC1=CC=C(C=C1)OC

InChI

InChI=1S/C22H32N2O8/c1-16(25)32-19(14-21(27)28)15-24(2,3)22(29)31-13-12-23-20(26)7-5-6-17-8-10-18(30-4)11-9-17/h8-11,19H,5-7,12-15H2,1-4H3,(H-,23,26,27,28)