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

Systemtic Name: 3-(2-butyl-3-methyl-phenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-(2-butyl-3-methyl-phenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-(2-butyl-3-methylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-(2-butyl-3-methylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-(2-butyl-3-methyl-phenyl)-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)C

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)C

InChI

InChI=1S/C18H25N3O2/c1-3-4-8-16-13(2)6-5-7-14(16)9-17(18(22)23)20-11-15-10-19-12-21-15/h5-7,10,12,17,20H,3-4,8-9,11H2,1-2H3,(H,19,21)(H,22,23)