4-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate

Systemtic Name: 4-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]butyrate Formula: C17H18NO6- MolecularWeight: 332.32792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCC(=O)[O-])C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCCCC(=O)[O-])C)C(=C1)O

InChI

InChI=1S/C17H19NO6/c1-9-6-12(19)16-10(2)11(17(23)24-13(16)7-9)8-14(20)18-5-3-4-15(21)22/h6-7,19H,3-5,8H2,1-2H3,(H,18,20)(H,21,22)/p-1