[(Z)-1-chloranyl-3-methyl-3-(phenethylamino)but-1-en-2-yl] benzoate hydrochloride

Systemtic Name: [(Z)-1-chloranyl-3-methyl-3-(phenethylamino)but-1-en-2-yl] benzoate hydrochloride Openeye Name: [(1Z)-1-(chloromethylene)-2-methyl-2-(phenethylamino)propyl] benzoate hydrochloride CAS Name: benzoic acid [(Z)-1-chloro-3-methyl-3-(phenethylamino)but-1-en-2-yl] ester hydrochloride IUPAC Name: [(Z)-1-chloro-3-methyl-3-(phenethylamino)but-1-en-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [(Z)-2-chloro-1-[1-methyl-1-(phenethylamino)ethyl]vinyl] ester hydrochloride Formula: C20H23Cl2NO2 MolecularWeight: 380.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=CCl)OC(=O)C1=CC=CC=C1)NCCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(/C(=C/Cl)/OC(=O)C1=CC=CC=C1)NCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C20H22ClNO2.ClH/c1-20(2,22-14-13-16-9-5-3-6-10-16)18(15-21)24-19(23)17-11-7-4-8-12-17;/h3-12,15,22H,13-14H2,1-2H3;1H/b18-15-;