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

Systemtic Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[2-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[2-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]ethylamino]-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)CCNC(CC3=CC=CS3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O2S/c1-2-3-10-22-26-15-18(27(22)16-17-7-4-5-9-20(17)24)11-12-25-21(23(28)29)14-19-8-6-13-30-19/h4-9,13,15,21,25H,2-3,10-12,14,16H2,1H3,(H,28,29)