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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3/c1-3-19-9-11-21(12-10-19)24-22(13-14-23(28)29-17-18(2)27)16-26(25-24)15-20-7-5-4-6-8-20/h4-14,16H,3,15,17H2,1-2H3/b14-13+