2-[5-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]ethanenitrile hydrochloride

Systemtic Name: 2-[5-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]ethanenitrile hydrochloride Openeye Name: 2-[5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]acetonitrile hydrochloride CAS Name: 2-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]acetonitrile hydrochloride IUPAC Name: 2-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]acetonitrile hydrochloride Traditional Name: 2-[5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]acetonitrile hydrochloride Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2.ClH/c1-20(2,13-15-6-4-3-5-7-15)22-14-19(24)16-8-9-18(23)17(12-16)10-11-21;/h3-9,12,19,22-24H,10,13-14H2,1-2H3;1H