4-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate

Systemtic Name: 4-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: 4-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: 4-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: 4-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: 4-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyrate Formula: C17H17ClNO6- MolecularWeight: 366.77298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C17H18ClNO6/c1-9-10(4-5-15(21)19-6-2-3-16(22)23)17(24)25-14-8-13(20)12(18)7-11(9)14/h7-8,20H,2-6H2,1H3,(H,19,21)(H,22,23)/p-1