N-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]-6-phenethyloxy-hexan-1-amine hydrochloride

Systemtic Name: N-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]-6-phenethyloxy-hexan-1-amine hydrochloride Openeye Name: N-[2-(4-benzyloxy-3-nitro-phenyl)ethyl]-6-phenethyloxy-hexan-1-amine hydrochloride CAS Name: N-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-6-phenethyloxy-1-hexanamine hydrochloride IUPAC Name: N-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-6-phenethyloxyhexan-1-amine hydrochloride Traditional Name: 2-(4-benzoxy-3-nitro-phenyl)ethyl-(6-phenethyloxyhexyl)amine hydrochloride Formula: C29H37ClN2O4 MolecularWeight: 513.06808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCCCNCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCCCNCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C29H36N2O4.ClH/c32-31(33)28-23-26(15-16-29(28)35-24-27-13-7-4-8-14-27)17-20-30-19-9-1-2-10-21-34-22-18-25-11-5-3-6-12-25;/h3-8,11-16,23,30H,1-2,9-10,17-22,24H2;1H