3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methylamino]propanoic acid CAS Name: 3-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]propanoic acid Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]amino]propionic acid Formula: C13H17ClN2O5 MolecularWeight: 316.73748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCC(=O)O)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCC(=O)O)Cl)OCC(=O)N

InChI

InChI=1S/C13H17ClN2O5/c1-20-10-5-8(6-16-3-2-12(18)19)4-9(14)13(10)21-7-11(15)17/h4-5,16H,2-3,6-7H2,1H3,(H2,15,17)(H,18,19)