2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoyl-methyl-amino]-2-methyl-pentanedioic acid

Systemtic Name: 2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoyl-methyl-amino]-2-methyl-pentanedioic acid Openeye Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]-methyl-amino]-2-methyl-pentanedioic acid CAS Name: 2-[[2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]-1-oxoethyl]-methylamino]-2-methylpentanedioic acid IUPAC Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]-methylamino]-2-methylpentanedioic acid Traditional Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]-methyl-amino]-2-methyl-glutaric acid Formula: C22H25ClN2O6 MolecularWeight: 448.8967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O6/c1-13-11-16(24(3)19(13)20(29)14-5-7-15(23)8-6-14)12-17(26)25(4)22(2,21(30)31)10-9-18(27)28/h5-8,11H,9-10,12H2,1-4H3,(H,27,28)(H,30,31)