2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]amino]-3-phenyl-propionic acid Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C

InChI

InChI=1S/C25H28ClN3O3/c1-3-4-14-23-27-16-24(28(23)17-20-12-8-9-13-21(20)26)29(18(2)30)22(25(31)32)15-19-10-6-5-7-11-19/h5-13,16,22H,3-4,14-15,17H2,1-2H3,(H,31,32)