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

Systemtic Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-2-methyl-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-2-methyl-3-(2-thienyl)propanoic acid CAS Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]ethylamino]-2-methyl-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-2-methyl-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[2-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]ethylamino]-2-methyl-3-(2-thienyl)propionic acid Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O2S/c1-3-4-11-22-26-16-19(28(22)17-18-8-5-6-10-21(18)25)12-13-27-24(2,23(29)30)15-20-9-7-14-31-20/h5-10,14,16,27H,3-4,11-13,15,17H2,1-2H3,(H,29,30)