(phenylmethyl) N-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamate

Systemtic Name: (phenylmethyl) N-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamate Openeye Name: benzyl N-[2-(4-benzyloxy-3-nitro-phenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamate CAS Name: N-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamate Traditional Name: N-[2-(4-benzoxy-3-nitro-phenyl)ethyl]-N-(6-phenethyloxyhexyl)carbamic acid benzyl ester Formula: C37H42N2O6 MolecularWeight: 610.73918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCCCN(CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCCCN(CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H42N2O6/c40-37(45-30-34-18-10-5-11-19-34)38(24-12-1-2-13-26-43-27-23-31-14-6-3-7-15-31)25-22-32-20-21-36(35(28-32)39(41)42)44-29-33-16-8-4-9-17-33/h3-11,14-21,28H,1-2,12-13,22-27,29-30H2