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

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C39H43N3O5 MolecularWeight: 633.77582

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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)OCC4=CC=CC=C4)C5=CC=CC=C5)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)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H43N3O5/c1-25-32(36(43)46-38(3,4)5)34(33(26(2)40-25)37(44)47-39(6,7)8)31-23-42(29-17-13-10-14-18-29)41-35(31)28-19-21-30(22-20-28)45-24-27-15-11-9-12-16-27/h9-23,34,40H,24H2,1-8H3