methyl 2-[4-[2-(1-pyridin-4-ylpiperidin-4-yl)ethanoylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-(1-pyridin-4-ylpiperidin-4-yl)ethanoylamino]phenoxy]ethanoate Openeye Name: methyl 2-[4-[[2-[1-(4-pyridyl)-4-piperidyl]acetyl]amino]phenoxy]acetate CAS Name: 2-[4-[[1-oxo-2-(1-pyridin-4-yl-4-piperidinyl)ethyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetate Traditional Name: 2-[4-[[2-[1-(4-pyridyl)-4-piperidyl]acetyl]amino]phenoxy]acetic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)NC(=O)CC2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)NC(=O)CC2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O4/c1-27-21(26)15-28-19-4-2-17(3-5-19)23-20(25)14-16-8-12-24(13-9-16)18-6-10-22-11-7-18/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,23,25)