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

Systemtic Name: 3-[2-butyl-3-[(3-methoxyphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(3-methoxyphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(3-methoxyphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(3-methoxyphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-(2-butyl-3-m-anisyl-phenyl)-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-3-4-11-23-19(12-18-7-5-10-22(13-18)31-2)8-6-9-20(23)14-24(25(29)30)27-16-21-15-26-17-28-21/h5-10,13,15,17,24,27H,3-4,11-12,14,16H2,1-2H3,(H,26,28)(H,29,30)