4-(3-nitrophenyl)-2,6-bis(1-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-2,6-bis(1-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-nitrophenyl)-2,6-bis[1-(3-pyridyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-nitrophenyl)-2,6-bis[1-(3-pyridinyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2,6-bis(1-pyridin-3-ylethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-nitrophenyl)-2,6-bis[1-(3-pyridyl)ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C29H28N4O8 MolecularWeight: 560.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)OCC2=C(C(C(=C(N2)COC(C)C3=CN=CC=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)OCC2=C(C(C(=C(N2)COC(C)C3=CN=CC=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H28N4O8/c1-17(20-7-4-10-30-13-20)40-15-23-26(28(34)35)25(19-6-3-9-22(12-19)33(38)39)27(29(36)37)24(32-23)16-41-18(2)21-8-5-11-31-14-21/h3-14,17-18,25,32H,15-16H2,1-2H3,(H,34,35)(H,36,37)