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

Systemtic Name: 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonyloxypropanoic acid Openeye Name: 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]oxypropanoic acid CAS Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethoxy]propanoic acid IUPAC Name: 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]oxypropanoic acid Traditional Name: 2-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]oxypropionic acid Formula: C29H36ClNO4 MolecularWeight: 498.05344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36ClNO4/c1-23(28(32)33)35-29(34)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)