(2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)-3-phenyl-propanoate hydrochloride

Systemtic Name: (2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)-3-phenyl-propanoate hydrochloride Openeye Name: (2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)-3-phenyl-propanoate hydrochloride CAS Name: 2-(4-methyl-1-piperazinyl)-3-phenylpropanoic acid (2,6-dimethylphenyl) ester hydrochloride IUPAC Name: (2,6-dimethylphenyl) 2-(4-methylpiperazin-1-yl)-3-phenylpropanoate hydrochloride Traditional Name: 2-(4-methylpiperazino)-3-phenyl-propionic acid (2,6-dimethylphenyl) ester hydrochloride Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C(CC2=CC=CC=C2)N3CCN(CC3)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C(CC2=CC=CC=C2)N3CCN(CC3)C.Cl

InChI

InChI=1S/C22H28N2O2.ClH/c1-17-8-7-9-18(2)21(17)26-22(25)20(16-19-10-5-4-6-11-19)24-14-12-23(3)13-15-24;/h4-11,20H,12-16H2,1-3H3;1H