4-[[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-(7-hydroxy-2-oxo-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(7-hydroxy-2-keto-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylate Formula: C19H20NO6- MolecularWeight: 358.3652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)C(=O)[O-]

InChI

InChI=1S/C19H21NO6/c21-14-5-6-15-13(8-18(23)26-16(15)9-14)7-17(22)20-10-11-1-3-12(4-2-11)19(24)25/h5-6,8-9,11-12,21H,1-4,7,10H2,(H,20,22)(H,24,25)/p-1