2-[1-[2-[3-(but-3-yn-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[2-[3-(but-3-yn-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[2-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]phenyl]-3-phenyl-propoxy]-2-oxo-acetic acid CAS Name: 2-[1-[2-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropoxy]-2-oxoacetic acid IUPAC Name: 2-[1-[2-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropoxy]-2-oxoacetic acid Traditional Name: 2-[1-[2-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]phenyl]-3-phenyl-propoxy]-2-keto-acetic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NCC(COC1=CC=CC=C1C(CCC2=CC=CC=C2)OC(=O)C(=O)O)O

Isomeric SMILES

CC(C#C)NCC(COC1=CC=CC=C1C(CCC2=CC=CC=C2)OC(=O)C(=O)O)O

InChI

InChI=1S/C24H27NO6/c1-3-17(2)25-15-19(26)16-30-21-12-8-7-11-20(21)22(31-24(29)23(27)28)14-13-18-9-5-4-6-10-18/h1,4-12,17,19,22,25-26H,13-16H2,2H3,(H,27,28)