[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-chromene-3-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O

InChI

InChI=1S/C21H25NO6/c1-12-6-4-8-16(13(12)2)22-18(23)11-27-20(24)15-10-14-7-5-9-17(26-3)19(14)28-21(15)25/h5,7,9-10,12-13,16H,4,6,8,11H2,1-3H3,(H,22,23)/t12-,13+,16+/m0/s1