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

Systemtic Name: ditert-butyl 4-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C35H43N3O5 MolecularWeight: 585.73302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C35H43N3O5/c1-11-41-25-17-18-26(21(2)19-25)31-27(20-38(37-31)24-15-13-12-14-16-24)30-28(32(39)42-34(5,6)7)22(3)36-23(4)29(30)33(40)43-35(8,9)10/h12-20,30,36H,11H2,1-10H3