3-[2-[4-(diethylamino)but-2-ynoxy]-1-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]benzoic acid

Systemtic Name: 3-[2-[4-(diethylamino)but-2-ynoxy]-1-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]benzoic acid Openeye Name: 3-[2-[4-(diethylamino)but-2-ynoxy]-1-hydroxy-2-oxo-1-phenyl-ethyl]benzoic acid CAS Name: 3-[2-[4-(diethylamino)but-2-ynoxy]-1-hydroxy-2-oxo-1-phenylethyl]benzoic acid IUPAC Name: 3-[2-[4-(diethylamino)but-2-ynoxy]-1-hydroxy-2-oxo-1-phenylethyl]benzoic acid Traditional Name: 3-[2-[4-(diethylamino)but-2-ynoxy]-1-hydroxy-2-keto-1-phenyl-ethyl]benzoic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C23H25NO5/c1-3-24(4-2)15-8-9-16-29-22(27)23(28,19-12-6-5-7-13-19)20-14-10-11-18(17-20)21(25)26/h5-7,10-14,17,28H,3-4,15-16H2,1-2H3,(H,25,26)