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

Systemtic Name: bis(2-methylpropyl) 2,6-dimethyl-4-[3-(3-methyl-4-phenylmethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 4-[3-(4-benzyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[3-(3-methyl-4-phenylmethoxyphenyl)-1-phenyl-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 2,6-dimethyl-4-[3-(3-methyl-4-phenylmethoxyphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-benzoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisobutyl ester Formula: C40H45N3O5 MolecularWeight: 647.8024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC(C)C)C)C)C(=O)OCC(C)C)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC(C)C)C)C)C(=O)OCC(C)C)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C40H45N3O5/c1-25(2)22-47-39(44)35-28(6)41-29(7)36(40(45)48-23-26(3)4)37(35)33-21-43(32-16-12-9-13-17-32)42-38(33)31-18-19-34(27(5)20-31)46-24-30-14-10-8-11-15-30/h8-21,25-26,37,41H,22-24H2,1-7H3