methyl 2-methoxy-5-[1-oxidanyl-2-(4-phenylpiperazin-1-yl)ethyl]benzoate hydrochloride

Systemtic Name: methyl 2-methoxy-5-[1-oxidanyl-2-(4-phenylpiperazin-1-yl)ethyl]benzoate hydrochloride Openeye Name: methyl 5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxy-benzoate hydrochloride CAS Name: 5-[1-hydroxy-2-(4-phenyl-1-piperazinyl)ethyl]-2-methoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxybenzoate hydrochloride Traditional Name: 5-[1-hydroxy-2-(4-phenylpiperazino)ethyl]-2-methoxy-benzoic acid methyl ester hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)O)C(=O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)O)C(=O)OC.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-26-20-9-8-16(14-18(20)21(25)27-2)19(24)15-22-10-12-23(13-11-22)17-6-4-3-5-7-17;/h3-9,14,19,24H,10-13,15H2,1-2H3;1H