methyl 4-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H29FN2O5 MolecularWeight: 432.485163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)F

InChI

InChI=1S/C23H29FN2O5/c1-29-22-8-3-17(13-21(22)24)14-25-9-11-26(12-10-25)15-19(27)16-31-20-6-4-18(5-7-20)23(28)30-2/h3-8,13,19,27H,9-12,14-16H2,1-2H3