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

Systemtic Name: ethyl 3-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C24H31FN2O5 MolecularWeight: 446.511743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F)O

InChI

InChI=1S/C24H31FN2O5/c1-3-31-24(29)19-5-4-6-21(14-19)32-17-20(28)16-27-11-9-26(10-12-27)15-18-7-8-23(30-2)22(25)13-18/h4-8,13-14,20,28H,3,9-12,15-17H2,1-2H3