1-[3,4-bis(oxidanyl)phenyl]-2-(4-phenylbutan-2-ylamino)ethanone hydrochloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4-phenylbutan-2-ylamino)ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[(1-methyl-3-phenyl-propyl)amino]ethanone hydrochloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-(4-phenylbutan-2-ylamino)ethanone hydrochloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(4-phenylbutan-2-ylamino)ethanone hydrochloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(1-methyl-3-phenyl-propyl)amino]ethanone hydrochloride Formula: C18H22ClNO3 MolecularWeight: 335.82518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)O.Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)O.Cl

InChI

InChI=1S/C18H21NO3.ClH/c1-13(7-8-14-5-3-2-4-6-14)19-12-18(22)15-9-10-16(20)17(21)11-15;/h2-6,9-11,13,19-21H,7-8,12H2,1H3;1H