[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C23H24ClNO4 MolecularWeight: 413.89396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClNO4/c24-18-12-10-17(11-13-18)22(27)19-8-4-5-9-20(19)23(28)29-16-21(26)25-14-6-2-1-3-7-15-25/h4-5,8-13H,1-3,6-7,14-16H2