3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]phenyl]propiolic acid Formula: C28H31Cl2NO2 MolecularWeight: 484.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)O)NCCCCCCCCCCCC#CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)O)NCCCCCCCCCCCC#CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C28H31Cl2NO2/c29-26-19-15-24(22-27(26)30)12-10-8-6-4-2-1-3-5-7-9-11-21-31-25-17-13-23(14-18-25)16-20-28(32)33/h13-15,17-19,22,31H,1-9,11,21H2,(H,32,33)