[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-keto-4-methyl-chromen-7-yl)oxyacetic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H25NO6/c1-13-5-3-4-6-17(13)22-19(23)11-27-21(25)12-26-15-7-8-16-14(2)9-20(24)28-18(16)10-15/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,22,23)/t13-,17-/m0/s1