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

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-(1-methylheptoxy)benzoate CAS Name: 3-isocyano-4-octan-2-yloxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-isocyano-4-octan-2-yloxybenzoate Traditional Name: 3-isocyano-4-(1-methylheptoxy)benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C37H45NO5 MolecularWeight: 583.7569

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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)OC(C)CCCCCC)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C37H45NO5/c1-5-7-9-11-12-14-26-41-36(39)31-18-16-29(17-19-31)30-20-23-33(24-21-30)43-37(40)32-22-25-35(34(27-32)38-4)42-28(3)15-13-10-8-6-2/h16-25,27-28H,5-15,26H2,1-3H3