3-[[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-2-oxidanylidene-ethanoyl]phenyl]-methyl-amino]propanoic acid

Systemtic Name: 3-[[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-2-oxidanylidene-ethanoyl]phenyl]-methyl-amino]propanoic acid Openeye Name: 3-[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-2-oxo-acetyl]-N-methyl-anilino]propanoic acid CAS Name: 3-[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-1,2-dioxoethyl]-N-methylanilino]propanoic acid IUPAC Name: 3-[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-2-oxoacetyl]-N-methylanilino]propanoic acid Traditional Name: 3-[4-[2-[4-[2-carboxyethyl(methyl)amino]phenyl]-2-keto-acetyl]-N-methyl-anilino]propionic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)CCC(=O)O

Isomeric SMILES

CN(CCC(=O)O)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)CCC(=O)O

InChI

InChI=1S/C22H24N2O6/c1-23(13-11-19(25)26)17-7-3-15(4-8-17)21(29)22(30)16-5-9-18(10-6-16)24(2)14-12-20(27)28/h3-10H,11-14H2,1-2H3,(H,25,26)(H,27,28)