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

Systemtic Name: 2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-4-methyl-valeric acid Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c1-12(2)9-17(21(27)28)23-18(25)11-16-10-13(3)19(24(16)4)20(26)14-5-7-15(22)8-6-14/h5-8,10,12,17H,9,11H2,1-4H3,(H,23,25)(H,27,28)