quinolin-8-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: quinolin-8-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: 8-quinolylmethyl (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 8-quinolinylmethyl ester IUPAC Name: quinolin-8-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 8-quinolylmethyl ester Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C26H25N3O2/c1-18-9-11-21(12-10-18)16-29-20(3)24(19(2)28-29)13-14-25(30)31-17-23-7-4-6-22-8-5-15-27-26(22)23/h4-15H,16-17H2,1-3H3/b14-13+