[6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl butanoate

Systemtic Name: [6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl butanoate Openeye Name: [3,4,5-trihydroxy-6-[4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methyl-pyrazol-3-yl]oxy-tetrahydropyran-2-yl]methyl butanoate CAS Name: butanoic acid [3,4,5-trihydroxy-6-[[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]-3-pyrazolyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl butanoate Traditional Name: butyric acid [3,4,5-trihydroxy-6-[4-(4-isopropoxybenzyl)-1-isopropyl-5-methyl-pyrazol-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C27H40N2O8 MolecularWeight: 520.6151

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C(C(O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O

Isomeric SMILES

CCCC(=O)OCC1C(C(C(C(O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O

InChI

InChI=1S/C27H40N2O8/c1-7-8-22(30)34-14-21-23(31)24(32)25(33)27(36-21)37-26-20(17(6)29(28-26)15(2)3)13-18-9-11-19(12-10-18)35-16(4)5/h9-12,15-16,21,23-25,27,31-33H,7-8,13-14H2,1-6H3