[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] 4-decoxybenzoate

Systemtic Name: [4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] 4-decoxybenzoate Openeye Name: [4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl] ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC3=C(NN=C3C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC3=C(NN=C3C)C

InChI

InChI=1S/C29H38N2O3/c1-4-5-6-7-8-9-10-11-20-33-26-18-14-25(15-19-26)29(32)34-27-16-12-24(13-17-27)21-28-22(2)30-31-23(28)3/h12-19H,4-11,20-21H2,1-3H3,(H,30,31)