2-(4-phenylpiperazin-1-yl)ethyl 2-[(2,3-dimethylphenyl)amino]benzoate hydrochloride

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(2,3-dimethylphenyl)amino]benzoate hydrochloride Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-(2,3-dimethylanilino)benzoate hydrochloride CAS Name: 2-(2,3-dimethylanilino)benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-(2,3-dimethylanilino)benzoate hydrochloride Traditional Name: 2-(2,3-dimethylanilino)benzoic acid 2-(4-phenylpiperazino)ethyl ester hydrochloride Formula: C27H32ClN3O2 MolecularWeight: 466.01488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)C.Cl

InChI

InChI=1S/C27H31N3O2.ClH/c1-21-9-8-14-25(22(21)2)28-26-13-7-6-12-24(26)27(31)32-20-19-29-15-17-30(18-16-29)23-10-4-3-5-11-23;/h3-14,28H,15-20H2,1-2H3;1H