methyl 4-(dimethylamino)-2-oxidanyl-5-(2-phenylethynyl)benzoate

Systemtic Name: methyl 4-(dimethylamino)-2-oxidanyl-5-(2-phenylethynyl)benzoate Openeye Name: methyl 4-(dimethylamino)-2-hydroxy-5-(2-phenylethynyl)benzoate CAS Name: 4-(dimethylamino)-2-hydroxy-5-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 4-(dimethylamino)-2-hydroxy-5-(2-phenylethynyl)benzoate Traditional Name: 4-(dimethylamino)-2-hydroxy-5-(2-phenylethynyl)benzoic acid methyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1C#CC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1C#CC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C18H17NO3/c1-19(2)16-12-17(20)15(18(21)22-3)11-14(16)10-9-13-7-5-4-6-8-13/h4-8,11-12,20H,1-3H3