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

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

CCCOC1=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

Isomeric SMILES

CCCOC1=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

InChI

InChI=1S/C35H43N3O5/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/h11-19,21,30,36H,10,20H2,1-9H3