2-[[2-butyl-3-(chloromethyl)imidazol-4-yl]methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-(chloromethyl)imidazol-4-yl]methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[[2-butyl-3-(chloromethyl)imidazol-4-yl]methylamino]-3-(2-thienyl)propanoic acid CAS Name: 2-[[2-butyl-3-(chloromethyl)-4-imidazolyl]methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[[2-butyl-3-(chloromethyl)imidazol-4-yl]methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[[2-butyl-3-(chloromethyl)imidazol-4-yl]methylamino]-3-(2-thienyl)propionic acid Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CCl)CNC(CC2=CC=CS2)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CCl)CNC(CC2=CC=CS2)C(=O)O

InChI

InChI=1S/C16H22ClN3O2S/c1-2-3-6-15-19-10-12(20(15)11-17)9-18-14(16(21)22)8-13-5-4-7-23-13/h4-5,7,10,14,18H,2-3,6,8-9,11H2,1H3,(H,21,22)