3-[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: 3-[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: 3-[3-[[(1S)-1-methylpropyl]carbamoyl]-2-oxo-chromen-7-yl]oxypropanoic acid CAS Name: 3-[[3-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: 3-[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxochromen-7-yl]oxypropanoic acid Traditional Name: 3-[2-keto-3-[[(1S)-1-methylpropyl]carbamoyl]chromen-7-yl]oxypropionic acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OCCC(=O)O)OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-3-10(2)18-16(21)13-8-11-4-5-12(23-7-6-15(19)20)9-14(11)24-17(13)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,21)(H,19,20)/t10-/m0/s1