2-azanyl-3-[1-(diphenylmethyl)pyrrolidin-3-yl]-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-3-[1-(diphenylmethyl)pyrrolidin-3-yl]-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid Openeye Name: 2-amino-3-(1-benzhydrylpyrrolidin-3-yl)-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid CAS Name: 2-amino-3-[1-(diphenylmethyl)-3-pyrrolidinyl]-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid IUPAC Name: 2-amino-3-(1-benzhydrylpyrrolidin-3-yl)-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid Traditional Name: 2-amino-3-(1-benzhydrylpyrrolidin-3-yl)-5-hexyl-6-methyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylic acid Formula: C37H46N4O6 MolecularWeight: 642.78434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(NC(C(C1C2=CC(=CC=C2)[N+](=O)[O-])(C3CCN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N)C)C(=O)O

Isomeric SMILES

CCCCCCC1(C(NC(C(C1C2=CC(=CC=C2)[N+](=O)[O-])(C3CCN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N)C)C(=O)O

InChI

InChI=1S/C37H46N4O6/c1-3-4-5-12-21-36(34(42)43)25(2)39-33(38)37(35(44)45,32(36)28-18-13-19-30(23-28)41(46)47)29-20-22-40(24-29)31(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,13-19,23,25,29,31-33,39H,3-5,12,20-22,24,38H2,1-2H3,(H,42,43)(H,44,45)