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

Systemtic Name: 3-[2-butyl-3-[(4-methoxy-3-methyl-phenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(4-methoxy-3-methyl-phenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(4-methoxy-3-methylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(4-methoxy-3-methylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(4-methoxy-3-methyl-benzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C26H33N3O3 MolecularWeight: 435.55852

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-4-5-9-23-20(13-19-10-11-25(32-3)18(2)12-19)7-6-8-21(23)14-24(26(30)31)28-16-22-15-27-17-29-22/h6-8,10-12,15,17,24,28H,4-5,9,13-14,16H2,1-3H3,(H,27,29)(H,30,31)