O5-(6-nitrooxyhexyl) O3-[1-(phenylmethyl)piperidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(6-nitrooxyhexyl) O3-[1-(phenylmethyl)piperidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-3-piperidyl) O5-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(6-nitrooxyhexyl) ester O3-[1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: 3-O-(1-benzylpiperidin-3-yl) 5-O-(6-nitrooxyhexyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(1-benzyl-3-piperidyl) ester O5-(6-nitrooxyhexyl) ester Formula: C32H39N5O9 MolecularWeight: 637.68016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C32H39N5O9/c1-22-27(31(38)44-17-7-2-3-8-18-45-37(42)43)28(24-13-9-14-25(19-24)36(40)41)29(30(33)34-22)32(39)46-26-15-10-16-35(21-26)20-23-11-5-4-6-12-23/h4-6,9,11-14,19,26,28,34H,2-3,7-8,10,15-18,20-21,33H2,1H3