but-2-ynyl 2-[4-(diethylamino)phenyl]-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: but-2-ynyl 2-[4-(diethylamino)phenyl]-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: but-2-ynyl 2-[4-(diethylamino)phenyl]-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-[4-(diethylamino)phenyl]-2-hydroxy-2-phenylacetic acid but-2-ynyl ester hydrochloride IUPAC Name: but-2-ynyl 2-[4-(diethylamino)phenyl]-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-[4-(diethylamino)phenyl]-2-hydroxy-2-phenyl-acetic acid but-2-ynyl ester hydrochloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC#CC)O.Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCC#CC)O.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-4-7-17-26-21(24)22(25,18-11-9-8-10-12-18)19-13-15-20(16-14-19)23(5-2)6-3;/h8-16,25H,5-6,17H2,1-3H3;1H