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

Systemtic Name: ditert-butyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C34H41N3O6 MolecularWeight: 587.70584

Click to see the large picture

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)OC)OC)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)OC)OC)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H41N3O6/c1-20-27(31(38)42-33(3,4)5)29(28(21(2)35-20)32(39)43-34(6,7)8)24-19-37(23-14-12-11-13-15-23)36-30(24)22-16-17-25(40-9)26(18-22)41-10/h11-19,29,35H,1-10H3