3-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C16H16ClNO6 MolecularWeight: 353.75434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NCCC(=O)O

InChI

InChI=1S/C16H16ClNO6/c1-8-9-5-11(17)13(23-2)7-12(9)24-16(22)10(8)6-14(19)18-4-3-15(20)21/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H,20,21)