(3-cyano-2-isocyano-4-pentoxy-phenyl) 4-[7-(2-ethoxyethanoyloxy)heptyl]benzoate

Systemtic Name: (3-cyano-2-isocyano-4-pentoxy-phenyl) 4-[7-(2-ethoxyethanoyloxy)heptyl]benzoate Openeye Name: (3-cyano-2-isocyano-4-pentoxy-phenyl) 4-[7-(2-ethoxyacetyl)oxyheptyl]benzoate CAS Name: 4-[7-(2-ethoxy-1-oxoethoxy)heptyl]benzoic acid (3-cyano-2-isocyano-4-pentoxyphenyl) ester IUPAC Name: (3-cyano-2-isocyano-4-pentoxyphenyl) 4-[7-(2-ethoxyacetyl)oxyheptyl]benzoate Traditional Name: 4-[7-(2-ethoxyacetyl)oxyheptyl]benzoic acid (4-amoxy-3-cyano-2-isocyano-phenyl) ester Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCCCOC(=O)COCC)[N+]#[C-])C#N

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCCCOC(=O)COCC)[N+]#[C-])C#N

InChI

InChI=1S/C31H38N2O6/c1-4-6-11-20-37-27-18-19-28(30(33-3)26(27)22-32)39-31(35)25-16-14-24(15-17-25)13-10-8-7-9-12-21-38-29(34)23-36-5-2/h14-19H,4-13,20-21,23H2,1-2H3