2-[[1-butyl-3-[(2-chlorophenyl)methyl]-2H-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-butyl-3-[(2-chlorophenyl)methyl]-2H-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[1-butyl-3-[(2-chlorophenyl)methyl]-2H-imidazol-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[1-butyl-3-[(2-chlorophenyl)methyl]-2H-imidazol-4-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[1-butyl-3-[(2-chlorophenyl)methyl]-2H-imidazol-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[1-butyl-3-(2-chlorobenzyl)-4-imidazolin-4-yl]amino]-3-phenyl-propionic acid Formula: C25H30ClN3O3 MolecularWeight: 455.977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CN(C(=C1)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCN1CN(C(=C1)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C25H30ClN3O3/c1-3-4-14-27-17-24(28(18-27)16-21-12-8-9-13-22(21)26)29(19(2)30)23(25(31)32)15-20-10-6-5-7-11-20/h5-13,17,23H,3-4,14-16,18H2,1-2H3,(H,31,32)