2-(5-azanylhexyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid

Systemtic Name: 2-(5-azanylhexyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid Openeye Name: 2-(5-aminohexyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid CAS Name: 2-(5-aminohexyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid IUPAC Name: 2-(5-aminohexyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid Traditional Name: 2-(5-aminohexyl)-5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6/c1-13(23)8-5-6-11-22(3)19(20(26)27)18(17(14(2)24-22)21(28)31-4)15-9-7-10-16(12-15)25(29)30/h7,9-10,12-13,18-19,24H,5-6,8,11,23H2,1-4H3,(H,26,27)