1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxy-phenyl)-3-oxidanyl-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxy-phenyl)-3-oxidanyl-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxy-phenyl)-3-hydroxy-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxyphenyl)-3-hydroxypropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxyphenyl)-3-hydroxypropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-(1,3-benzodioxol-2-ylmethyl)-3-(4-ethyl-3,5-dimethoxy-phenyl)-3-hydroxy-propyl]pyrazole-3-carboxylic acid Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1OC)C(C(CC2OC3=CC=CC=C3O2)CN4C=CC(=N4)C(=O)O)O)OC

Isomeric SMILES

CCC1=C(C=C(C=C1OC)C(C(CC2OC3=CC=CC=C3O2)CN4C=CC(=N4)C(=O)O)O)OC

InChI

InChI=1S/C25H28N2O7/c1-4-17-21(31-2)11-15(12-22(17)32-3)24(28)16(14-27-10-9-18(26-27)25(29)30)13-23-33-19-7-5-6-8-20(19)34-23/h5-12,16,23-24,28H,4,13-14H2,1-3H3,(H,29,30)