methyl 4-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(4-cyanobenzyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H27N3O4/c1-29-23(28)20-6-8-22(9-7-20)30-17-21(27)16-26-12-10-25(11-13-26)15-19-4-2-18(14-24)3-5-19/h2-9,21,27H,10-13,15-17H2,1H3