bis(phenylmethyl) 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,6-dimethyl-4-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C41H37N3O5 MolecularWeight: 651.74958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C41H37N3O5/c1-4-24-47-34-22-20-32(21-23-34)39-35(25-44(43-39)33-18-12-7-13-19-33)38-36(40(45)48-26-30-14-8-5-9-15-30)28(2)42-29(3)37(38)41(46)49-27-31-16-10-6-11-17-31/h4-23,25,38,42H,1,24,26-27H2,2-3H3