methyl 2-[4-[[3-butyl-5-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[3-butyl-5-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-butyl-5-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-pyrazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-butyl-5-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[3-butyl-5-(methoxymethyl)pyrazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=NN(C(=C1)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H28N2O3/c1-4-5-8-20-15-21(17-28-2)26(25-20)16-18-11-13-19(14-12-18)22-9-6-7-10-23(22)24(27)29-3/h6-7,9-15H,4-5,8,16-17H2,1-3H3