1-(4-azanylbutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-5-(2-oxidanyl-3-phenoxy-propoxy)carbonyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 1-(4-azanylbutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-5-(2-oxidanyl-3-phenoxy-propoxy)carbonyl-4H-pyridine-3-carboxylic acid Openeye Name: 1-(4-aminobutoxy)-5-(2-hydroxy-3-phenoxy-propoxy)carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid CAS Name: 1-(4-aminobutoxy)-5-[(2-hydroxy-3-phenoxypropoxy)-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 1-(4-aminobutoxy)-5-(2-hydroxy-3-phenoxypropoxy)carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid Traditional Name: 1-(4-aminobutoxy)-5-(2-hydroxy-3-phenoxy-propoxy)carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid Formula: C28H33N3O9 MolecularWeight: 555.57632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCCCCN)C)C(=O)OCC(COC2=CC=CC=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1OCCCCN)C)C(=O)OCC(COC2=CC=CC=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H33N3O9/c1-18-24(27(33)34)26(20-9-8-10-21(15-20)31(36)37)25(19(2)30(18)40-14-7-6-13-29)28(35)39-17-22(32)16-38-23-11-4-3-5-12-23/h3-5,8-12,15,22,26,32H,6-7,13-14,16-17,29H2,1-2H3,(H,33,34)