4-[[4-[[(4-azanyl-5-chloranyl-1-benzofuran-7-yl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-[[(4-azanyl-5-chloranyl-1-benzofuran-7-yl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[[(4-amino-5-chloro-benzofuran-7-carbonyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[[[(4-amino-5-chloro-7-benzofuranyl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[[(4-amino-5-chloro-benzofuran-7-carbonyl)amino]methyl]piperidino]methyl]tetrahydropyran-4-carboxylic acid Formula: C22H28ClN3O5 MolecularWeight: 449.92782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=C(C3=C2OC=C3)N)Cl)CC4(CCOCC4)C(=O)O

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=C(C3=C2OC=C3)N)Cl)CC4(CCOCC4)C(=O)O

InChI

InChI=1S/C22H28ClN3O5/c23-17-11-16(19-15(18(17)24)3-8-31-19)20(27)25-12-14-1-6-26(7-2-14)13-22(21(28)29)4-9-30-10-5-22/h3,8,11,14H,1-2,4-7,9-10,12-13,24H2,(H,25,27)(H,28,29)