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

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methylamino]propanamide Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methylamino]propanamide CAS Name: 3-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]propanamide IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]propanamide Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]amino]propionamide Formula: C13H18ClN3O4 MolecularWeight: 315.75272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O4/c1-20-10-5-8(6-17-3-2-11(15)18)4-9(14)13(10)21-7-12(16)19/h4-5,17H,2-3,6-7H2,1H3,(H2,15,18)(H2,16,19)