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

Systemtic Name: 4-[(2,6-diethylphenyl)-[3-[(2,6-dimethylphenyl)-ethanoyl-amino]propanoyl]amino]butanoic acid Openeye Name: 4-[N-[3-(N-acetyl-2,6-dimethyl-anilino)propanoyl]-2,6-diethyl-anilino]butanoic acid CAS Name: 4-(N-[3-(N-acetyl-2,6-dimethylanilino)-1-oxopropyl]-2,6-diethylanilino)butanoic acid IUPAC Name: 4-[N-[3-(N-acetyl-2,6-dimethylanilino)propanoyl]-2,6-diethylanilino]butanoic acid Traditional Name: 4-[N-[3-(N-acetyl-2,6-dimethyl-anilino)propanoyl]-2,6-diethyl-anilino]butyric acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(CCCC(=O)O)C(=O)CCN(C2=C(C=CC=C2C)C)C(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(CCCC(=O)O)C(=O)CCN(C2=C(C=CC=C2C)C)C(=O)C

InChI

InChI=1S/C27H36N2O4/c1-6-22-13-9-14-23(7-2)27(22)29(17-10-15-25(32)33)24(31)16-18-28(21(5)30)26-19(3)11-8-12-20(26)4/h8-9,11-14H,6-7,10,15-18H2,1-5H3,(H,32,33)