5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 1-benzyl-5-(4-methoxy-3-tetrahydrofuran-2-yloxy-phenyl)pyrazole-3-carboxylic acid CAS Name: 5-[4-methoxy-3-(2-oxolanyloxy)phenyl]-1-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-benzyl-5-[4-methoxy-3-(tetrahydrofuryloxy)phenyl]pyrazole-3-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)C(=O)O)OC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=CC=C3)C(=O)O)OC4CCCO4

InChI

InChI=1S/C22H22N2O5/c1-27-19-10-9-16(12-20(19)29-21-8-5-11-28-21)18-13-17(22(25)26)23-24(18)14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,25,26)