methyl 3-[[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(1-benzyl-4-piperidyl)piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-(1-benzyl-4-piperidyl)nipecotoyl]amino]propionic acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-28-21(26)9-12-23-22(27)19-8-5-13-25(17-19)20-10-14-24(15-11-20)16-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)