methyl 4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]butanoate

Systemtic Name: methyl 4-oxidanyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]butanoate Openeye Name: methyl 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenyl]butanoate CAS Name: 4-hydroxy-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-hydroxy-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]butanoate Traditional Name: 4-hydroxy-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenyl]butyric acid methyl ester Formula: C22H35N3O3 MolecularWeight: 389.5316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCO)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3

Isomeric SMILES

COC(=O)C(CCO)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3

InChI

InChI=1S/C22H35N3O3/c1-28-22(27)21(9-17-26)19-2-4-20(5-3-19)25-15-13-24(14-16-25)12-8-18-6-10-23-11-7-18/h2-5,18,21,23,26H,6-17H2,1H3