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

Systemtic Name: 2-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 2-[[3-[[(1S)-1-methylpropyl]carbamoyl]-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 2-[[3-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 2-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 2-[[2-keto-3-[[(1S)-1-methylpropyl]carbamoyl]chromen-7-yl]oxymethyl]benzoic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=CC=C3C(=O)O)OC1=O

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=CC=C3C(=O)O)OC1=O

InChI

InChI=1S/C22H21NO6/c1-3-13(2)23-20(24)18-10-14-8-9-16(11-19(14)29-22(18)27)28-12-15-6-4-5-7-17(15)21(25)26/h4-11,13H,3,12H2,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1