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

Systemtic Name: 3-[2-butyl-3-[(2-nitrophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(2-nitrophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(2-nitrophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(2-nitrophenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(2-nitrobenzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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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[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4/c1-2-3-10-21-17(12-19-7-4-5-11-23(19)28(31)32)8-6-9-18(21)13-22(24(29)30)26-15-20-14-25-16-27-20/h4-9,11,14,16,22,26H,2-3,10,12-13,15H2,1H3,(H,25,27)(H,29,30)