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

Systemtic Name: 2-[2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]amino]-3-methyl-valeric acid Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=CC(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CC1=CC(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H25ClN2O4/c1-5-12(2)18(21(27)28)23-17(25)11-16-10-13(3)19(24(16)4)20(26)14-6-8-15(22)9-7-14/h6-10,12,18H,5,11H2,1-4H3,(H,23,25)(H,27,28)