5-[3-(4,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-nitro-1-propyl-cyclohexa-2,5-dien-1-yl]oxycarbonylpyridine-3-carboxylic acid

Systemtic Name: 5-[3-(4,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-nitro-1-propyl-cyclohexa-2,5-dien-1-yl]oxycarbonylpyridine-3-carboxylic acid Openeye Name: 5-[3-(4,4-diphenyl-1-piperidyl)-2,6-dimethyl-4-nitro-1-propyl-cyclohexa-2,5-dien-1-yl]oxycarbonylpyridine-3-carboxylic acid CAS Name: 5-[[3-(4,4-diphenyl-1-piperidinyl)-2,6-dimethyl-4-nitro-1-propyl-1-cyclohexa-2,5-dienyl]oxy-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[3-(4,4-diphenylpiperidin-1-yl)-2,6-dimethyl-4-nitro-1-propylcyclohexa-2,5-dien-1-yl]oxycarbonylpyridine-3-carboxylic acid Traditional Name: 5-[3-(4,4-diphenylpiperidino)-2,6-dimethyl-4-nitro-1-propyl-cyclohexa-2,5-dien-1-yl]oxycarbonylnicotinic acid Formula: C35H37N3O6 MolecularWeight: 595.68478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=CC(C(=C1C)N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C)OC(=O)C5=CN=CC(=C5)C(=O)O

Isomeric SMILES

CCCC1(C(=CC(C(=C1C)N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C)OC(=O)C5=CN=CC(=C5)C(=O)O

InChI

InChI=1S/C35H37N3O6/c1-4-15-35(44-33(41)27-21-26(32(39)40)22-36-23-27)24(2)20-30(38(42)43)31(25(35)3)37-18-16-34(17-19-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-14,20-23,30H,4,15-19H2,1-3H3,(H,39,40)