2-oxidanylidenepropyl (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-oxidanylidenepropyl (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: acetonyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acrylic acid acetonyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H24N2O3/c1-17-9-10-21(13-18(17)2)24-22(11-12-23(28)29-16-19(3)27)15-26(25-24)14-20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3/b12-11+