2-azanyl-2-phenyl-propanoic acid; [2-butyl-5-chloranyl-3-(phenylmethyl)imidazol-4-yl]methanol

Systemtic Name: 2-azanyl-2-phenyl-propanoic acid; [2-butyl-5-chloranyl-3-(phenylmethyl)imidazol-4-yl]methanol Openeye Name: 2-amino-2-phenyl-propanoic acid; (3-benzyl-2-butyl-5-chloro-imidazol-4-yl)methanol CAS Name: 2-amino-2-phenylpropanoic acid; [2-butyl-5-chloro-3-(phenylmethyl)-4-imidazolyl]methanol IUPAC Name: 2-amino-2-phenylpropanoic acid; (3-benzyl-2-butyl-5-chloroimidazol-4-yl)methanol Traditional Name: 2-amino-2-phenyl-propionic acid; (3-benzyl-2-butyl-5-chloro-imidazol-4-yl)methanol Formula: C24H30ClN3O3 MolecularWeight: 443.9663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC=C2)CO)Cl.CC(C1=CC=CC=C1)(C(=O)O)N

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC=C2)CO)Cl.CC(C1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C15H19ClN2O.C9H11NO2/c1-2-3-9-14-17-15(16)13(11-19)18(14)10-12-7-5-4-6-8-12;1-9(10,8(11)12)7-5-3-2-4-6-7/h4-8,19H,2-3,9-11H2,1H3;2-6H,10H2,1H3,(H,11,12)