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

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C33H39N3O4/c1-20-15-17-23(18-16-20)29-25(19-36(35-29)24-13-11-10-12-14-24)28-26(30(37)39-32(4,5)6)21(2)34-22(3)27(28)31(38)40-33(7,8)9/h10-19,28,34H,1-9H3