ditert-butyl 4-[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 4-[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C35H42FN3O5 MolecularWeight: 603.723483

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C)C4=CC=CC=C4)F

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)(C)C)C)C)C(=O)OC(C)(C)C)C4=CC=CC=C4)F

InChI

InChI=1S/C35H42FN3O5/c1-10-18-42-27-17-16-23(19-26(27)36)31-25(20-39(38-31)24-14-12-11-13-15-24)30-28(32(40)43-34(4,5)6)21(2)37-22(3)29(30)33(41)44-35(7,8)9/h11-17,19-20,30,37H,10,18H2,1-9H3