3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-phenylazanyl-propanoic acid; 1H-imidazole

Systemtic Name: 3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]-2-phenylazanyl-propanoic acid; 1H-imidazole Openeye Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethyl-phenyl]propanoic acid; imidazole CAS Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]propanoic acid; 1H-imidazole IUPAC Name: 2-anilino-3-[2-butyl-4-[(2-chlorophenyl)methyl]-3-ethylphenyl]propanoic acid; 1H-imidazole Traditional Name: 2-anilino-3-[2-butyl-4-(2-chlorobenzyl)-3-ethyl-phenyl]propionic acid; glyoxaline Formula: C31H36ClN3O2 MolecularWeight: 518.08944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC3=CC=CC=C3.C1=CN=CN1

Isomeric SMILES

CCCCC1=C(C=CC(=C1CC)CC2=CC=CC=C2Cl)CC(C(=O)O)NC3=CC=CC=C3.C1=CN=CN1

InChI

InChI=1S/C28H32ClNO2.C3H4N2/c1-3-5-14-25-21(19-27(28(31)32)30-23-12-7-6-8-13-23)17-16-20(24(25)4-2)18-22-11-9-10-15-26(22)29;1-2-5-3-4-1/h6-13,15-17,27,30H,3-5,14,18-19H2,1-2H3,(H,31,32);1-3H,(H,4,5)