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

Systemtic Name: methyl 2-methoxy-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]benzoate Openeye Name: methyl 5-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methoxy-benzoate CAS Name: 5-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methoxybenzoate Traditional Name: 5-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazino]ethyl]-2-methoxy-benzoic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3OC)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3OC)O)C(=O)OC

InChI

InChI=1S/C22H28N2O5/c1-27-20-9-8-16(14-17(20)22(26)29-3)19(25)15-23-10-12-24(13-11-23)18-6-4-5-7-21(18)28-2/h4-9,14,19,25H,10-13,15H2,1-3H3