3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid

Systemtic Name: 3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-(2-butylphenyl)-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-2-3-6-13-7-4-5-8-14(13)9-16(17(21)22)19-11-15-10-18-12-20-15/h4-5,7-8,10,12,16,19H,2-3,6,9,11H2,1H3,(H,18,20)(H,21,22)