methyl 4-[2-[[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(3-nitro-4-phenylmethoxy-phenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(4-benzyloxy-3-nitro-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-hydroxy-2-(3-nitro-4-phenylmethoxyphenyl)ethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-hydroxy-2-(3-nitro-4-phenylmethoxyphenyl)ethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(4-benzoxy-3-nitro-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C26H28N2O6/c1-18(14-19-8-10-21(11-9-19)26(30)33-2)27-16-24(29)22-12-13-25(23(15-22)28(31)32)34-17-20-6-4-3-5-7-20/h3-13,15,18,24,27,29H,14,16-17H2,1-2H3