4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[(4-methoxy-3-nitro-phenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-m-anisyl-(4-methoxy-3-nitro-benzyl)amine Formula: C29H41N3O4 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC(=CC=C2)OC)C3CCC(CC3)CC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC(=CC=C2)OC)C3CCC(CC3)CC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C29H41N3O4/c1-35-27-5-3-4-23(17-27)19-31(20-24-10-15-29(36-2)28(18-24)32(33)34)26-13-8-22(9-14-26)16-21-6-11-25(30)12-7-21/h3-5,10,15,17-18,21-22,25-26H,6-9,11-14,16,19-20,30H2,1-2H3