ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C35H41N3O5 MolecularWeight: 583.71714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H41N3O5/c1-10-20-41-26-18-16-24(17-19-26)31-27(21-38(37-31)25-14-12-11-13-15-25)30-28(32(39)42-34(4,5)6)22(2)36-23(3)29(30)33(40)43-35(7,8)9/h10-19,21,30,36H,1,20H2,2-9H3