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

Systemtic Name: ditert-butyl 4-[3-(4-ethoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-ethoxy-3-fluorophenyl)-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-3-fluorophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-ethoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C34H40FN3O5 MolecularWeight: 589.696903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=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)F

Isomeric SMILES

CCOC1=C(C=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)F

InChI

InChI=1S/C34H40FN3O5/c1-10-41-26-17-16-22(18-25(26)35)30-24(19-38(37-30)23-14-12-11-13-15-23)29-27(31(39)42-33(4,5)6)20(2)36-21(3)28(29)32(40)43-34(7,8)9/h11-19,29,36H,10H2,1-9H3