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

Systemtic Name: 3-[2-butyl-3-[(2-methylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-(o-tolylmethyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(2-methylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(2-methylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(2-methylbenzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-3-4-12-23-20(13-19-9-6-5-8-18(19)2)10-7-11-21(23)14-24(25(29)30)27-16-22-15-26-17-28-22/h5-11,15,17,24,27H,3-4,12-14,16H2,1-2H3,(H,26,28)(H,29,30)