2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-3-methyl-butyric acid Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-11(2)17(20(26)27)22-16(24)10-15-9-12(3)18(23(15)4)19(25)13-5-7-14(21)8-6-13/h5-9,11,17H,10H2,1-4H3,(H,22,24)(H,26,27)