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

Systemtic Name: (2R,3R,4S,5R)-N,1-dicyclohexyl-2,5-bis(4-methylphenyl)-4-nitro-pyrrolidin-3-amine Openeye Name: (2R,3R,4S,5R)-N,1-dicyclohexyl-4-nitro-2,5-bis(p-tolyl)pyrrolidin-3-amine CAS Name: (2R,3R,4S,5R)-N,1-dicyclohexyl-2,5-bis(4-methylphenyl)-4-nitro-3-pyrrolidinamine IUPAC Name: (2R,3R,4S,5R)-N,1-dicyclohexyl-2,5-bis(4-methylphenyl)-4-nitropyrrolidin-3-amine Traditional Name: cyclohexyl-[(2R,3R,4S,5R)-1-cyclohexyl-4-nitro-2,5-bis(p-tolyl)pyrrolidin-3-yl]amine Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C3CCCCC3)C4=CC=C(C=C4)C)[N+](=O)[O-])NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@H](N2C3CCCCC3)C4=CC=C(C=C4)C)[N+](=O)[O-])NC5CCCCC5

InChI

InChI=1S/C30H41N3O2/c1-21-13-17-23(18-14-21)28-27(31-25-9-5-3-6-10-25)30(33(34)35)29(24-19-15-22(2)16-20-24)32(28)26-11-7-4-8-12-26/h13-20,25-31H,3-12H2,1-2H3/t27-,28-,29-,30+/m1/s1