methyl 4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]cyclohexanecarboxylate CAS Name: 4-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]cyclohexane-1-carboxylate Traditional Name: 4-[4-[4-(4-pyridyl)piperazino]phenoxy]cyclohexanecarboxylic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C23H29N3O3/c1-28-23(27)18-2-6-21(7-3-18)29-22-8-4-19(5-9-22)25-14-16-26(17-15-25)20-10-12-24-13-11-20/h4-5,8-13,18,21H,2-3,6-7,14-17H2,1H3