2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]acetyl]amino]-3-methyl-valeric acid Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)NC(C(C)CC)C(=O)O

InChI

InChI=1S/C22H30ClN3O3/c1-4-6-11-19-24-13-17(26(19)14-16-9-7-8-10-18(16)23)12-20(27)25-21(22(28)29)15(3)5-2/h7-10,13,15,21H,4-6,11-12,14H2,1-3H3,(H,25,27)(H,28,29)