(2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Openeye Name: (5-isopropyl-2-methyl-phenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxylic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

InChI

InChI=1S/C25H25N3O4/c1-16(2)18-6-5-17(3)22(13-18)32-25(29)20-15-28(10-4-9-26)27-24(20)19-7-8-21-23(14-19)31-12-11-30-21/h5-8,13-16H,4,10-12H2,1-3H3