O5-ethyl O3-methyl 2-(3-fluoranyl-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(3-fluoranyl-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(3-fluoro-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-fluoro-3-phenylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(3-fluoro-3-phenylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-fluoro-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C26H27FN2O6 MolecularWeight: 482.500783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC(C3=CC=CC=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC(C3=CC=CC=C3)F)C

InChI

InChI=1S/C26H27FN2O6/c1-4-35-26(31)22-16(2)28-21(14-13-20(27)17-9-6-5-7-10-17)24(25(30)34-3)23(22)18-11-8-12-19(15-18)29(32)33/h5-12,15,20,23,28H,4,13-14H2,1-3H3