5-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[[(1S)-1-methylpropyl]carbamoyl]-2-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[2-keto-3-[[(1S)-1-methylpropyl]carbamoyl]chromen-7-yl]oxymethyl]-2-furoic acid Formula: C20H19NO7 MolecularWeight: 385.36736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC1=O

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=C(O3)C(=O)O)OC1=O

InChI

InChI=1S/C20H19NO7/c1-3-11(2)21-18(22)15-8-12-4-5-13(9-17(12)28-20(15)25)26-10-14-6-7-16(27-14)19(23)24/h4-9,11H,3,10H2,1-2H3,(H,21,22)(H,23,24)/t11-/m0/s1