methyl 1-[3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[[2-(1-imidazolyl)ethylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCN3C=CN=C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCN3C=CN=C3)O

InChI

InChI=1S/C22H32N4O4/c1-29-22(28)19-6-10-25(11-7-19)15-20(27)16-30-21-4-2-18(3-5-21)14-23-8-12-26-13-9-24-17-26/h2-5,9,13,17,19-20,23,27H,6-8,10-12,14-16H2,1H3