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

Systemtic Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-methyl-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-methyl-3-(2-thienyl)propanoic acid CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylamino]-2-methyl-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-2-methyl-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]methylamino]-2-methyl-3-(2-thienyl)propionic acid Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(C)(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(C)(CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C23H28ClN3O2S/c1-3-4-11-21-25-14-18(27(21)16-17-8-5-6-10-20(17)24)15-26-23(2,22(28)29)13-19-9-7-12-30-19/h5-10,12,14,26H,3-4,11,13,15-16H2,1-2H3,(H,28,29)