3-[[1-[(2-chloranyl-5-methoxy-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-5-methoxy-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[1-[(2-chloro-5-methoxy-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-[[[[1-[(2-chloro-5-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(2-chloro-5-methoxyphenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[1-(2-chloro-5-methoxy-benzyl)-2-keto-3-pyridyl]carbamoylamino]propionic acid Formula: C17H18ClN3O5 MolecularWeight: 379.79492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)CN2C=CC=C(C2=O)NC(=O)NCCC(=O)O

InChI

InChI=1S/C17H18ClN3O5/c1-26-12-4-5-13(18)11(9-12)10-21-8-2-3-14(16(21)24)20-17(25)19-7-6-15(22)23/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)(H2,19,20,25)