4-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]butanoate

Systemtic Name: 4-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]butyrate Formula: C16H16NO6- MolecularWeight: 318.30134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCCCC(=O)[O-])O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCCCC(=O)[O-])O

InChI

InChI=1S/C16H17NO6/c1-9-12(18)5-4-11-10(8-15(22)23-16(9)11)7-13(19)17-6-2-3-14(20)21/h4-5,8,18H,2-3,6-7H2,1H3,(H,17,19)(H,20,21)/p-1