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

Systemtic Name: 3-[2-butyl-3-[(4-phenylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(4-phenylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(4-phenylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(4-phenylphenyl)methyl]phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(4-phenylbenzyl)phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C30H33N3O2 MolecularWeight: 467.60192

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O2/c1-2-3-12-28-25(17-22-13-15-24(16-14-22)23-8-5-4-6-9-23)10-7-11-26(28)18-29(30(34)35)32-20-27-19-31-21-33-27/h4-11,13-16,19,21,29,32H,2-3,12,17-18,20H2,1H3,(H,31,33)(H,34,35)