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

Systemtic Name: bis(phenylmethyl) 4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C40H37N3O5 MolecularWeight: 639.73888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

Isomeric SMILES

CCOC1=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

InChI

InChI=1S/C40H37N3O5/c1-4-46-33-22-20-31(21-23-33)38-34(24-43(42-38)32-18-12-7-13-19-32)37-35(39(44)47-25-29-14-8-5-9-15-29)27(2)41-28(3)36(37)40(45)48-26-30-16-10-6-11-17-30/h5-24,37,41H,4,25-26H2,1-3H3