dimethyl 2,6-dimethyl-4-[5-nitro-2-(4-piperidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-[5-nitro-2-(4-piperidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-(1-piperidyl)butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[5-nitro-2-[4-(1-piperidinyl)butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,6-dimethyl-4-[5-nitro-2-(4-piperidin-1-ylbutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[5-nitro-2-(4-piperidinobutoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H35N3O7 MolecularWeight: 501.572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN3CCCCC3)C(=O)OC

InChI

InChI=1S/C26H35N3O7/c1-17-22(25(30)34-3)24(23(18(2)27-17)26(31)35-4)20-16-19(29(32)33)10-11-21(20)36-15-9-8-14-28-12-6-5-7-13-28/h10-11,16,24,27H,5-9,12-15H2,1-4H3