[4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-(2-methylbutoxy)benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-(2-methylbutoxy)benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-(2-methylbutoxy)benzoate CAS Name: 3-isocyano-4-(2-methylbutoxy)benzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-(2-methylbutoxy)benzoate Traditional Name: 3-isocyano-4-(2-methylbutoxy)benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C34H39NO5 MolecularWeight: 541.67716

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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)OCC(C)CC)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C34H39NO5/c1-5-7-8-9-10-11-22-38-33(36)28-14-12-26(13-15-28)27-16-19-30(20-17-27)40-34(37)29-18-21-32(31(23-29)35-4)39-24-25(3)6-2/h12-21,23,25H,5-11,22,24H2,1-3H3