2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-[4-(3-phenoxypropylamino)octoxy]-4H-pyridine-3,5-dicarboxylic acid Formula: C32H41N3O8 MolecularWeight: 595.68324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCON1C(=C(C(C(=C1C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)NCCCOC3=CC=CC=C3

Isomeric SMILES

CCCCC(CCCON1C(=C(C(C(=C1C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)NCCCOC3=CC=CC=C3

InChI

InChI=1S/C32H41N3O8/c1-4-5-13-25(33-18-11-19-42-27-16-7-6-8-17-27)14-10-20-43-34-22(2)28(31(36)37)30(29(23(34)3)32(38)39)24-12-9-15-26(21-24)35(40)41/h6-9,12,15-17,21,25,30,33H,4-5,10-11,13-14,18-20H2,1-3H3,(H,36,37)(H,38,39)