4-[3-[(2,6-dimethylphenyl)-ethanoyl-amino]propanoyl-(2-ethyl-6-methyl-phenyl)amino]butanoic acid

Systemtic Name: 4-[3-[(2,6-dimethylphenyl)-ethanoyl-amino]propanoyl-(2-ethyl-6-methyl-phenyl)amino]butanoic acid Openeye Name: 4-[N-[3-(N-acetyl-2,6-dimethyl-anilino)propanoyl]-2-ethyl-6-methyl-anilino]butanoic acid CAS Name: 4-(N-[3-(N-acetyl-2,6-dimethylanilino)-1-oxopropyl]-2-ethyl-6-methylanilino)butanoic acid IUPAC Name: 4-[N-[3-(N-acetyl-2,6-dimethylanilino)propanoyl]-2-ethyl-6-methylanilino]butanoic acid Traditional Name: 4-[N-[3-(N-acetyl-2,6-dimethyl-anilino)propanoyl]-2-ethyl-6-methyl-anilino]butyric acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(CCCC(=O)O)C(=O)CCN(C2=C(C=CC=C2C)C)C(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1N(CCCC(=O)O)C(=O)CCN(C2=C(C=CC=C2C)C)C(=O)C)C

InChI

InChI=1S/C26H34N2O4/c1-6-22-13-8-12-20(4)26(22)28(16-9-14-24(31)32)23(30)15-17-27(21(5)29)25-18(2)10-7-11-19(25)3/h7-8,10-13H,6,9,14-17H2,1-5H3,(H,31,32)