2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid 2-phthalimidoethyl ester Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22ClN3O4/c1-16-19(17(2)29(27-16)15-18-7-3-6-10-22(18)26)11-12-23(30)33-14-13-28-24(31)20-8-4-5-9-21(20)25(28)32/h3-12H,13-15H2,1-2H3