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

Systemtic Name: 4-[[4-[[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]piperidino]methyl]tetrahydropyran-4-carboxylic acid Formula: C21H30ClN3O5 MolecularWeight: 439.933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC3(CCOCC3)C(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC3(CCOCC3)C(=O)O)Cl)N

InChI

InChI=1S/C21H30ClN3O5/c1-29-18-11-17(23)16(22)10-15(18)19(26)24-12-14-2-6-25(7-3-14)13-21(20(27)28)4-8-30-9-5-21/h10-11,14H,2-9,12-13,23H2,1H3,(H,24,26)(H,27,28)