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

Systemtic Name: 4-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: 4-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: 4-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: 4-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: 4-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyrate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C17H19NO6/c1-10-12-5-4-11(19)9-14(12)24-17(23)13(10)6-7-15(20)18-8-2-3-16(21)22/h4-5,9,19H,2-3,6-8H2,1H3,(H,18,20)(H,21,22)/p-1