3-[2-butyl-3-[(2-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid

Systemtic Name: 3-[2-butyl-3-[(2-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(2-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(2-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(2-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(2-cyanobenzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=CC=C3C#N

InChI

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