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

Systemtic Name: 2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C17H18ClNO6 MolecularWeight: 367.78092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C

InChI

InChI=1S/C17H18ClNO6/c1-4-12(16(21)22)19-15(20)6-10-8(2)9-5-11(18)14(24-3)7-13(9)25-17(10)23/h5,7,12H,4,6H2,1-3H3,(H,19,20)(H,21,22)