diethyl 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylpropanedioate

Systemtic Name: diethyl 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylpropanedioate Openeye Name: diethyl 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]propanedioate CAS Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]propanedioate Traditional Name: 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]malonic acid diethyl ester Formula: C33H42ClNO5 MolecularWeight: 568.14328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C33H42ClNO5/c1-3-39-32(37)30(33(38)40-4-2)31(36)27-19-23-29(24-20-27)35-25-15-13-11-9-7-5-6-8-10-12-14-16-26-17-21-28(34)22-18-26/h17-24,30,35H,3-13,15,25H2,1-2H3