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

Systemtic Name: bis(phenylmethyl) 4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C41H39N3O5 MolecularWeight: 653.76546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=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

CCOC1=C(C=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/C41H39N3O5/c1-5-47-35-22-21-32(23-27(35)2)39-34(24-44(43-39)33-19-13-8-14-20-33)38-36(40(45)48-25-30-15-9-6-10-16-30)28(3)42-29(4)37(38)41(46)49-26-31-17-11-7-12-18-31/h6-24,38,42H,5,25-26H2,1-4H3