2-(butanoylamino)-3-[2-butyl-1-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-(butanoylamino)-3-[2-butyl-1-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-(butanoylamino)-3-[2-butyl-1-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[2-butyl-1-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(1-oxobutylamino)propanoic acid IUPAC Name: 2-(butanoylamino)-3-[2-butyl-1-[(2-chlorophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[2-butyl-1-(2-chlorobenzyl)imidazol-4-yl]-2-butyramido-propionic acid Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=CC=C2Cl)CC(C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=CC=C2Cl)CC(C(=O)O)NC(=O)CCC

InChI

InChI=1S/C21H28ClN3O3/c1-3-5-11-19-23-16(12-18(21(27)28)24-20(26)8-4-2)14-25(19)13-15-9-6-7-10-17(15)22/h6-7,9-10,14,18H,3-5,8,11-13H2,1-2H3,(H,24,26)(H,27,28)