(3-isocyano-4-octan-2-yloxy-phenyl) 4-(4-decoxyphenyl)benzoate

Systemtic Name: (3-isocyano-4-octan-2-yloxy-phenyl) 4-(4-decoxyphenyl)benzoate Openeye Name: [3-isocyano-4-(1-methylheptoxy)phenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid (3-isocyano-4-octan-2-yloxyphenyl) ester IUPAC Name: (3-isocyano-4-octan-2-yloxyphenyl) 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [3-isocyano-4-(1-methylheptoxy)phenyl] ester Formula: C38H49NO4 MolecularWeight: 583.79996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(C)CCCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(C)CCCCCC)[N+]#[C-]

InChI

InChI=1S/C38H49NO4/c1-5-7-9-11-12-13-14-16-28-41-34-24-22-32(23-25-34)31-18-20-33(21-19-31)38(40)43-35-26-27-37(36(29-35)39-4)42-30(3)17-15-10-8-6-2/h18-27,29-30H,5-17,28H2,1-3H3