2-[3-(but-3-yn-2-ylamino)-2-oxidanyl-propoxy]-1,3-diphenyl-propan-1-one hydrochloride

Systemtic Name: 2-[3-(but-3-yn-2-ylamino)-2-oxidanyl-propoxy]-1,3-diphenyl-propan-1-one hydrochloride Openeye Name: 2-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]-1,3-diphenyl-propan-1-one hydrochloride CAS Name: 2-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]-1,3-diphenyl-1-propanone hydrochloride IUPAC Name: 2-[3-(but-3-yn-2-ylamino)-2-hydroxypropoxy]-1,3-diphenylpropan-1-one hydrochloride Traditional Name: 2-[2-hydroxy-3-(1-methylprop-2-ynylamino)propoxy]-1,3-diphenyl-propan-1-one hydrochloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NCC(COC(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C#C)NCC(COC(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-3-17(2)23-15-20(24)16-26-21(14-18-10-6-4-7-11-18)22(25)19-12-8-5-9-13-19;/h1,4-13,17,20-21,23-24H,14-16H2,2H3;1H