3-[2-butyl-3-[(4-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid

Systemtic Name: 3-[2-butyl-3-[(4-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(4-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(4-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(4-cyanophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(4-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=C(C=C3)C#N

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=C(C=C3)C#N

InChI

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