2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-[(E)-but-1-enyl]-3-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC

Isomeric SMILES

CC/C=C/C1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC

InChI

InChI=1S/C23H24N2O3/c1-3-4-7-20-14-19(16-28-2)24-25(20)15-17-10-12-18(13-11-17)21-8-5-6-9-22(21)23(26)27/h4-14H,3,15-16H2,1-2H3,(H,26,27)/b7-4+