4-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoate

Systemtic Name: 4-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoate Openeye Name: 4-[[3-[[(1S)-1-methylpropyl]carbamoyl]-2-oxo-chromen-7-yl]oxymethyl]benzoate CAS Name: 4-[[3-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoate IUPAC Name: 4-[[3-[[(2S)-butan-2-yl]carbamoyl]-2-oxochromen-7-yl]oxymethyl]benzoate Traditional Name: 4-[[2-keto-3-[[(1S)-1-methylpropyl]carbamoyl]chromen-7-yl]oxymethyl]benzoate Formula: C22H20NO6- MolecularWeight: 394.3973

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC1=O

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC1=O

InChI

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