methyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]-3-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-[2-(tert-butoxycarbonylamino)ethyl]phenoxy]-3-methylsulfonyl-benzoate CAS Name: 4-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenoxy]-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]-3-methylsulfonylbenzoate Traditional Name: 4-[4-[2-(tert-butoxycarbonylamino)ethyl]phenoxy]-3-mesyl-benzoic acid methyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C22H27NO7S/c1-22(2,3)30-21(25)23-13-12-15-6-9-17(10-7-15)29-18-11-8-16(20(24)28-4)14-19(18)31(5,26)27/h6-11,14H,12-13H2,1-5H3,(H,23,25)