[4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-propyl-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-propyl-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-propyl-benzoate CAS Name: 3-isocyano-4-propylbenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-propylbenzoate Traditional Name: 3-isocyano-4-propyl-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C32H35NO4 MolecularWeight: 497.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCC)[N+]#[C-]

InChI

InChI=1S/C32H35NO4/c1-4-6-7-8-9-10-22-36-31(34)27-15-12-24(13-16-27)25-18-20-29(21-19-25)37-32(35)28-17-14-26(11-5-2)30(23-28)33-3/h12-21,23H,4-11,22H2,1-2H3