2-[[4-[13-(furan-2-yl)tridec-11-ynylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[13-(furan-2-yl)tridec-11-ynylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[13-(2-furyl)tridec-11-ynylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[13-(2-furanyl)tridec-11-ynylamino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[13-(furan-2-yl)tridec-11-ynylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[13-(2-furyl)tridec-11-ynylamino]benzoyl]amino]acetic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)NCC(=O)O

Isomeric SMILES

C1=COC(=C1)CC#CCCCCCCCCCCNC2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C26H34N2O4/c29-25(30)21-28-26(31)22-15-17-23(18-16-22)27-19-11-9-7-5-3-1-2-4-6-8-10-13-24-14-12-20-32-24/h12,14-18,20,27H,1-7,9,11,13,19,21H2,(H,28,31)(H,29,30)