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

Systemtic Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-oxidanyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-hydroxy-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-hydroxyphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-hydroxyphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[2-butyl-3-(2-chlorobenzyl)-4-hydroxy-phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CC2=CC=CC=C2Cl)O)CC(C(=O)O)NCC3=CN=CN3

Isomeric SMILES

CCCCC1=C(C=CC(=C1CC2=CC=CC=C2Cl)O)CC(C(=O)O)NCC3=CN=CN3

InChI

InChI=1S/C24H28ClN3O3/c1-2-3-7-19-16(12-22(24(30)31)27-14-18-13-26-15-28-18)9-10-23(29)20(19)11-17-6-4-5-8-21(17)25/h4-6,8-10,13,15,22,27,29H,2-3,7,11-12,14H2,1H3,(H,26,28)(H,30,31)