[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C20H23NO5/c1-12-6-5-8-16(13(12)2)21-18(22)11-25-19(23)15-10-14-7-3-4-9-17(14)26-20(15)24/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,21,22)/t12-,13-,16-/m1/s1