(2R,3R,4S,5R)-N,1-dibutyl-2,5-bis(4-methylphenyl)-4-nitro-pyrrolidin-3-amine

Systemtic Name: (2R,3R,4S,5R)-N,1-dibutyl-2,5-bis(4-methylphenyl)-4-nitro-pyrrolidin-3-amine Openeye Name: (2R,3R,4S,5R)-N,1-dibutyl-4-nitro-2,5-bis(p-tolyl)pyrrolidin-3-amine CAS Name: (2R,3R,4S,5R)-N,1-dibutyl-2,5-bis(4-methylphenyl)-4-nitro-3-pyrrolidinamine IUPAC Name: (2R,3R,4S,5R)-N,1-dibutyl-2,5-bis(4-methylphenyl)-4-nitropyrrolidin-3-amine Traditional Name: butyl-[(2R,3R,4S,5R)-1-butyl-4-nitro-2,5-bis(p-tolyl)pyrrolidin-3-yl]amine Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(N(C1C2=CC=C(C=C2)C)CCCC)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN[C@H]1[C@@H]([C@H](N([C@@H]1C2=CC=C(C=C2)C)CCCC)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C26H37N3O2/c1-5-7-17-27-23-24(21-13-9-19(3)10-14-21)28(18-8-6-2)25(26(23)29(30)31)22-15-11-20(4)12-16-22/h9-16,23-27H,5-8,17-18H2,1-4H3/t23-,24-,25-,26+/m1/s1