4-[4-[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]benzoic acid Openeye Name: 4-[4-[2-(tert-butoxycarbonylamino)-3-cyclohexyl-propoxy]phenyl]benzoic acid CAS Name: 4-[4-[3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]benzoic acid Traditional Name: 4-[4-[2-(tert-butoxycarbonylamino)-3-cyclohexyl-propoxy]phenyl]benzoic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H35NO5/c1-27(2,3)33-26(31)28-23(17-19-7-5-4-6-8-19)18-32-24-15-13-21(14-16-24)20-9-11-22(12-10-20)25(29)30/h9-16,19,23H,4-8,17-18H2,1-3H3,(H,28,31)(H,29,30)