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

Systemtic Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methyl-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]methyl-methyl-amino]-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)CN(C)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2/c1-3-4-14-24-27-16-21(29(24)17-20-12-8-9-13-22(20)26)18-28(2)23(25(30)31)15-19-10-6-5-7-11-19/h5-13,16,23H,3-4,14-15,17-18H2,1-2H3,(H,30,31)