4-phenylbutyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 4-phenylbutyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 4-phenylbutyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 4-phenylbutyl ester Formula: C25H26F2N2O5 MolecularWeight: 472.481146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)F)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)F)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H26F2N2O5/c1-16-21(24(30)33-15-9-8-12-18-10-4-3-5-11-18)22(23(29(31)32)17(2)28-16)19-13-6-7-14-20(19)34-25(26)27/h3-7,10-11,13-14,22,25,28H,8-9,12,15H2,1-2H3