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

Systemtic Name: ethyl 4-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-2-30-24(29)21-7-9-23(10-8-21)31-18-22(28)17-27-13-11-26(12-14-27)16-20-5-3-19(15-25)4-6-20/h3-10,22,28H,2,11-14,16-18H2,1H3