2-azanyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-2-yl-butanoic acid

Systemtic Name: 2-azanyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-2-yl-butanoic acid Openeye Name: 2-amino-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2-thienyl)butanoic acid CAS Name: 2-amino-4-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-thiophen-2-ylbutanoic acid IUPAC Name: 2-amino-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-thiophen-2-ylbutanoic acid Traditional Name: 2-amino-4-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(2-thienyl)butyric acid Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(C3=CC=CS3)(C(=O)O)N

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(C3=CC=CS3)(C(=O)O)N

InChI

InChI=1S/C22H26ClN3O2S/c1-2-3-10-20-25-14-17(26(20)15-16-7-4-5-8-18(16)23)11-12-22(24,21(27)28)19-9-6-13-29-19/h4-9,13-14H,2-3,10-12,15,24H2,1H3,(H,27,28)