2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]propionic acid Formula: C29H37ClN2O3 MolecularWeight: 497.06868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37ClN2O3/c1-23(29(34)35)32-28(33)25-16-20-27(21-17-25)31-22-12-10-8-6-4-2-3-5-7-9-11-13-24-14-18-26(30)19-15-24/h14-21,23,31H,2-10,12,22H2,1H3,(H,32,33)(H,34,35)