2-[4-[4-[(4-ethylphenyl)carbamoyl]-1-(3-methoxypropyl)-5-methyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-1-(3-methoxypropyl)-5-methyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-1-(3-methoxypropyl)-5-methyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[4-[(4-ethylanilino)-oxomethyl]-1-(3-methoxypropyl)-5-methyl-2-imidazolyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-1-(3-methoxypropyl)-5-methylimidazol-2-yl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[4-[(4-ethylphenyl)carbamoyl]-1-(3-methoxypropyl)-5-methyl-imidazol-2-yl]phenyl]thio]-2-methyl-propionic acid Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)SC(C)(C)C(=O)O)CCCOC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)SC(C)(C)C(=O)O)CCCOC)C

InChI

InChI=1S/C27H33N3O4S/c1-6-19-8-12-21(13-9-19)28-25(31)23-18(2)30(16-7-17-34-5)24(29-23)20-10-14-22(15-11-20)35-27(3,4)26(32)33/h8-15H,6-7,16-17H2,1-5H3,(H,28,31)(H,32,33)