3-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-piperidyl]propanoic acid CAS Name: 3-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidino]propionic acid Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC(=O)O)Cl)N

InChI

InChI=1S/C16H22ClN3O4/c1-24-14-9-13(18)12(17)8-11(14)16(23)19-10-2-5-20(6-3-10)7-4-15(21)22/h8-10H,2-7,18H2,1H3,(H,19,23)(H,21,22)