6-[3-methoxy-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[3-methoxy-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]sulfanylhexanoic acid Openeye Name: 6-[4-[(tert-butoxycarbonylamino)-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]sulfanylhexanoic acid CAS Name: 6-[[3-methoxy-4-[(4-methoxyphenyl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]thio]hexanoic acid IUPAC Name: 6-[3-methoxy-4-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]sulfanylhexanoic acid Traditional Name: 6-[[4-[(tert-butoxycarbonylamino)-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]thio]hexanoic acid Formula: C26H35NO6S MolecularWeight: 489.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

InChI

InChI=1S/C26H35NO6S/c1-26(2,3)33-25(30)27-24(18-10-12-19(31-4)13-11-18)21-15-14-20(17-22(21)32-5)34-16-8-6-7-9-23(28)29/h10-15,17,24H,6-9,16H2,1-5H3,(H,27,30)(H,28,29)