2-[4-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]butanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]butanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[4-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)butanoyl-methyl-amino]acetic acid CAS Name: 2-[[4-(N-[(4-chlorophenyl)-oxomethyl]-2,6-dimethylanilino)-1-oxobutyl]-methylamino]acetic acid IUPAC Name: 2-[4-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)butanoyl-methylamino]acetic acid Traditional Name: 2-[4-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)butanoyl-methyl-amino]acetic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCCC(=O)N(C)CC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCCC(=O)N(C)CC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-15-6-4-7-16(2)21(15)25(22(29)17-9-11-18(23)12-10-17)13-5-8-19(26)24(3)14-20(27)28/h4,6-7,9-12H,5,8,13-14H2,1-3H3,(H,27,28)