ethyl 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name: ethyl 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: ethyl 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid ethyl ester Formula: C28H35Cl2NO2 MolecularWeight: 488.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35Cl2NO2/c1-2-33-28(32)24-16-18-25(19-17-24)31-21-13-11-9-7-5-3-4-6-8-10-12-14-23-15-20-26(29)27(30)22-23/h15-20,22,31H,2-11,13,21H2,1H3