2-[2-[2-butyl-3-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid

Systemtic Name: 2-[2-[2-butyl-3-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid Openeye Name: 2-[[2-[2-butyl-3-[(3-methoxyphenyl)methyl]imidazol-4-yl]acetyl]-(2-thienyl)amino]propanoic acid CAS Name: 2-[[2-[2-butyl-3-[(3-methoxyphenyl)methyl]-4-imidazolyl]-1-oxoethyl]-thiophen-2-ylamino]propanoic acid IUPAC Name: 2-[[2-[2-butyl-3-[(3-methoxyphenyl)methyl]imidazol-4-yl]acetyl]-thiophen-2-ylamino]propanoic acid Traditional Name: 2-[[2-(2-butyl-3-m-anisyl-imidazol-4-yl)acetyl]-(2-thienyl)amino]propionic acid Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC(=CC=C2)OC)CC(=O)N(C3=CC=CS3)C(C)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC(=CC=C2)OC)CC(=O)N(C3=CC=CS3)C(C)C(=O)O

InChI

InChI=1S/C24H29N3O4S/c1-4-5-10-21-25-15-19(26(21)16-18-8-6-9-20(13-18)31-3)14-22(28)27(17(2)24(29)30)23-11-7-12-32-23/h6-9,11-13,15,17H,4-5,10,14,16H2,1-3H3,(H,29,30)