methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate

Systemtic Name: methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate Openeye Name: methyl 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]propanoate CAS Name: 3-phenyl-2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate Traditional Name: 3-phenyl-2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]propionic acid methyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)OC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4

InChI

InChI=1S/C27H37N3O3/c1-32-27(31)26(21-23-5-3-2-4-6-23)33-25-9-7-24(8-10-25)30-19-17-29(18-20-30)16-13-22-11-14-28-15-12-22/h2-10,22,26,28H,11-21H2,1H3