ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(2,3-dimethylphenyl)piperazino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3C)C)O

InChI

InChI=1S/C24H32N2O4/c1-4-29-24(28)20-8-10-22(11-9-20)30-17-21(27)16-25-12-14-26(15-13-25)23-7-5-6-18(2)19(23)3/h5-11,21,27H,4,12-17H2,1-3H3