oxolan-2-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: oxolan-2-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: tetrahydrofuran-2-ylmethyl (E)-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid tetrahydrofurfuryl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC3CCCO3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC3CCCO3)C

InChI

InChI=1S/C21H26N2O3/c1-15-6-8-18(9-7-15)13-23-17(3)20(16(2)22-23)10-11-21(24)26-14-19-5-4-12-25-19/h6-11,19H,4-5,12-14H2,1-3H3/b11-10+