methyl 2-ethoxy-5-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzoate hydrochloride

Systemtic Name: methyl 2-ethoxy-5-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzoate hydrochloride Openeye Name: methyl 2-ethoxy-5-[2-(4-phenylpiperazin-1-yl)acetyl]benzoate hydrochloride CAS Name: 2-ethoxy-5-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-ethoxy-5-[2-(4-phenylpiperazin-1-yl)acetyl]benzoate hydrochloride Traditional Name: 2-ethoxy-5-[2-(4-phenylpiperazino)acetyl]benzoic acid methyl ester hydrochloride Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC.Cl

InChI

InChI=1S/C22H26N2O4.ClH/c1-3-28-21-10-9-17(15-19(21)22(26)27-2)20(25)16-23-11-13-24(14-12-23)18-7-5-4-6-8-18;/h4-10,15H,3,11-14,16H2,1-2H3;1H