4-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate

Systemtic Name: 4-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: 4-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: 4-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: 4-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: 4-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]butyrate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-10-12-5-7-14(20)11(2)17(12)25-18(24)13(10)6-8-15(21)19-9-3-4-16(22)23/h5,7,20H,3-4,6,8-9H2,1-2H3,(H,19,21)(H,22,23)/p-1