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

Systemtic Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-thiophen-3-yl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-(3-thienyl)propanoic acid CAS Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylamino]-3-(3-thiophenyl)propanoic acid IUPAC Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-thiophen-3-ylpropanoic acid Traditional Name: 2-[[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]methylamino]-3-(3-thienyl)propionic acid Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(CC3=CSC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)CNC(CC3=CSC=C3)C(=O)O

InChI

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