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

Systemtic Name: 3-[2-butyl-3-[(3-chlorophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(3-chlorophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(3-chlorophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(3-chlorophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(3-chlorobenzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2/c1-2-3-10-22-18(11-17-6-4-9-20(25)12-17)7-5-8-19(22)13-23(24(29)30)27-15-21-14-26-16-28-21/h4-9,12,14,16,23,27H,2-3,10-11,13,15H2,1H3,(H,26,28)(H,29,30)