3-[5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propoxy]-4-methoxy-2-(3-oxidanylpropyl)phenoxy]butan-2-one

Systemtic Name: 3-[5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propoxy]-4-methoxy-2-(3-oxidanylpropyl)phenoxy]butan-2-one Openeye Name: 3-[5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propoxy]-2-(3-hydroxypropyl)-4-methoxy-phenoxy]butan-2-one CAS Name: 3-[5-[3-[4-(4-fluorophenyl)-1-piperazinyl]propoxy]-2-(3-hydroxypropyl)-4-methoxyphenoxy]-2-butanone IUPAC Name: 3-[5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propoxy]-2-(3-hydroxypropyl)-4-methoxyphenoxy]butan-2-one Traditional Name: 3-[5-[3-[4-(4-fluorophenyl)piperazino]propoxy]-2-(3-hydroxypropyl)-4-methoxy-phenoxy]butan-2-one Formula: C27H37FN2O5 MolecularWeight: 488.591483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)C)OC1=CC(=C(C=C1CCCO)OC)OCCCN2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H37FN2O5/c1-20(32)21(2)35-25-19-27(26(33-3)18-22(25)6-4-16-31)34-17-5-11-29-12-14-30(15-13-29)24-9-7-23(28)8-10-24/h7-10,18-19,21,31H,4-6,11-17H2,1-3H3