2-[2-[cyclohexyl(oxidanyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 2-[2-[cyclohexyl(oxidanyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 2-(2-tert-butoxycarbonyl-3-cyclohexyl-3-hydroxy-propyl)benzoic acid CAS Name: 2-[2-[cyclohexyl(hydroxy)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid IUPAC Name: 2-[2-[cyclohexyl(hydroxy)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid Traditional Name: 2-(2-tert-butoxycarbonyl-3-cyclohexyl-3-hydroxy-propyl)benzoic acid Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1C(=O)O)C(C2CCCCC2)O

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1C(=O)O)C(C2CCCCC2)O

InChI

InChI=1S/C21H30O5/c1-21(2,3)26-20(25)17(18(22)14-9-5-4-6-10-14)13-15-11-7-8-12-16(15)19(23)24/h7-8,11-12,14,17-18,22H,4-6,9-10,13H2,1-3H3,(H,23,24)