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

Systemtic Name: bis(phenylmethyl) 2,6-dimethyl-4-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 2,6-dimethyl-4-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,6-dimethyl-4-[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C42H41N3O5 MolecularWeight: 667.79204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC4=CC=CC=C4)C)C)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC4=CC=CC=C4)C)C)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C42H41N3O5/c1-5-23-48-34-21-22-35(28(2)24-34)40-36(25-45(44-40)33-19-13-8-14-20-33)39-37(41(46)49-26-31-15-9-6-10-16-31)29(3)43-30(4)38(39)42(47)50-27-32-17-11-7-12-18-32/h6-22,24-25,39,43H,5,23,26-27H2,1-4H3