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

Systemtic Name: 4-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyrate Formula: C16H16NO6- MolecularWeight: 318.30134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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