[(4-carbonochloridoyl-3-fluoranyl-phenyl)-hexadecyl-carbamoyl] benzoate

Systemtic Name: [(4-carbonochloridoyl-3-fluoranyl-phenyl)-hexadecyl-carbamoyl] benzoate Openeye Name: [(4-chlorocarbonyl-3-fluoro-phenyl)-hexadecyl-carbamoyl] benzoate CAS Name: benzoic acid [(4-carbonochloridoyl-3-fluoro-N-hexadecylanilino)-oxomethyl] ester IUPAC Name: [(4-carbonochloridoyl-3-fluorophenyl)-hexadecylcarbamoyl] benzoate Traditional Name: benzoic acid [cetyl-(4-chlorocarbonyl-3-fluoro-phenyl)carbamoyl] ester Formula: C31H41ClFNO4 MolecularWeight: 546.112943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC(=C(C=C1)C(=O)Cl)F)C(=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC(=C(C=C1)C(=O)Cl)F)C(=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H41ClFNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34(26-21-22-27(29(32)35)28(33)24-26)31(37)38-30(36)25-19-16-15-17-20-25/h15-17,19-22,24H,2-14,18,23H2,1H3