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

Systemtic Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetic acid Formula: C28H35ClN2O3 MolecularWeight: 483.0421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)NCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C28H35ClN2O3/c29-25-17-13-23(14-18-25)12-10-8-6-4-2-1-3-5-7-9-11-21-30-26-19-15-24(16-20-26)28(34)31-22-27(32)33/h13-20,30H,1-9,11,21-22H2,(H,31,34)(H,32,33)