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

Systemtic Name: 2-[4-[13-(furan-2-yl)tridec-11-ynylamino]phenyl]carbonyloxypropanoic acid Openeye Name: 2-[4-[13-(2-furyl)tridec-11-ynylamino]benzoyl]oxypropanoic acid CAS Name: 2-[[4-[13-(2-furanyl)tridec-11-ynylamino]phenyl]-oxomethoxy]propanoic acid IUPAC Name: 2-[4-[13-(furan-2-yl)tridec-11-ynylamino]benzoyl]oxypropanoic acid Traditional Name: 2-[4-[13-(2-furyl)tridec-11-ynylamino]benzoyl]oxypropionic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCC#CCC2=CC=CO2

Isomeric SMILES

CC(C(=O)O)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCC#CCC2=CC=CO2

InChI

InChI=1S/C27H35NO5/c1-22(26(29)30)33-27(31)23-16-18-24(19-17-23)28-20-12-10-8-6-4-2-3-5-7-9-11-14-25-15-13-21-32-25/h13,15-19,21-22,28H,2-8,10,12,14,20H2,1H3,(H,29,30)