methyl 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzoate CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzoate Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methoxyphenyl)piperazino]ethyl]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O

InChI

InChI=1S/C21H26N2O5/c1-27-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-20(25)15-3-8-19(24)18(13-15)21(26)28-2/h3-8,13,20,24-25H,9-12,14H2,1-2H3