4-[[4-[[(4-azanyl-5-chloranyl-2-ethoxy-phenyl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-[[(4-azanyl-5-chloranyl-2-ethoxy-phenyl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[[(4-amino-5-chloro-2-ethoxy-benzoyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[[[(4-amino-5-chloro-2-ethoxyphenyl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[[(4-amino-5-chloro-2-ethoxybenzoyl)amino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[[(4-amino-5-chloro-2-ethoxy-benzoyl)amino]methyl]piperidino]methyl]tetrahydropyran-4-carboxylic acid Formula: C22H32ClN3O5 MolecularWeight: 453.95958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC3(CCOCC3)C(=O)O)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC3(CCOCC3)C(=O)O)Cl)N

InChI

InChI=1S/C22H32ClN3O5/c1-2-31-19-12-18(24)17(23)11-16(19)20(27)25-13-15-3-7-26(8-4-15)14-22(21(28)29)5-9-30-10-6-22/h11-12,15H,2-10,13-14,24H2,1H3,(H,25,27)(H,28,29)