1-(3-nitro-4-phenylmethoxy-phenyl)-N-(1-phenylbutyl)pentan-1-amine

Systemtic Name: 1-(3-nitro-4-phenylmethoxy-phenyl)-N-(1-phenylbutyl)pentan-1-amine Openeye Name: 1-(4-benzyloxy-3-nitro-phenyl)-N-(1-phenylbutyl)pentan-1-amine CAS Name: 1-(3-nitro-4-phenylmethoxyphenyl)-N-(1-phenylbutyl)-1-pentanamine IUPAC Name: 1-(3-nitro-4-phenylmethoxyphenyl)-N-(1-phenylbutyl)pentan-1-amine Traditional Name: 1-(4-benzoxy-3-nitro-phenyl)pentyl-(1-phenylbutyl)amine Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(CCC)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(CCC)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O3/c1-3-5-17-26(29-25(12-4-2)23-15-10-7-11-16-23)24-18-19-28(27(20-24)30(31)32)33-21-22-13-8-6-9-14-22/h6-11,13-16,18-20,25-26,29H,3-5,12,17,21H2,1-2H3