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

Systemtic Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-phenyl-propanoic acid CAS Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]ethylamino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]ethylamino]-3-phenyl-propionic acid Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2/c1-2-3-13-24-28-17-21(29(24)18-20-11-7-8-12-22(20)26)14-15-27-23(25(30)31)16-19-9-5-4-6-10-19/h4-12,17,23,27H,2-3,13-16,18H2,1H3,(H,30,31)