(2-benzamido-2-oxidanylidene-ethyl) (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: (2-benzamido-2-oxo-ethyl) (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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (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 (2-benzamido-2-keto-ethyl) ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H25N3O4/c1-17-9-11-20(12-10-17)15-28-19(3)22(18(2)27-28)13-14-24(30)32-16-23(29)26-25(31)21-7-5-4-6-8-21/h4-14H,15-16H2,1-3H3,(H,26,29,31)/b14-13+