2-[(4-chlorophenyl)carbonyl-methyl-amino]-6-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonyl-methyl-amino]-6-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-hexanoic acid Openeye Name: 2-[(4-chlorobenzoyl)-methyl-amino]-6-(2,6-dimethylanilino)-3-oxo-hexanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]-methylamino]-6-(2,6-dimethylanilino)-3-oxohexanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)-methylamino]-6-(2,6-dimethylanilino)-3-oxohexanoic acid Traditional Name: 2-[(4-chlorobenzoyl)-methyl-amino]-6-(2,6-dimethylanilino)-3-keto-hexanoic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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