2-[[2-butyl-3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-butyl-3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-3-phenyl-propionic acid Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C#N)CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C#N)CNC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N4O2/c1-2-3-9-24-28-17-22(29(24)18-21-12-10-20(15-26)11-13-21)16-27-23(25(30)31)14-19-7-5-4-6-8-19/h4-8,10-13,17,23,27H,2-3,9,14,16,18H2,1H3,(H,30,31)