[(1R,2S,3R)-3-(3-aminocarbonyl-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-5,5-dimethyl-2-oxidanyl-cyclohexyl] N-prop-2-ynoxycarbamate

Systemtic Name: [(1R,2S,3R)-3-(3-aminocarbonyl-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-5,5-dimethyl-2-oxidanyl-cyclohexyl] N-prop-2-ynoxycarbamate Openeye Name: [(1R,2S,3R)-3-(3-carbamoyl-2-hydroxy-8-methyl-4-oxo-chromen-7-yl)oxy-2-hydroxy-5,5-dimethyl-cyclohexyl] N-prop-2-ynoxycarbamate CAS Name: N-prop-2-ynoxycarbamic acid [(1R,2S,3R)-3-[(3-carbamoyl-2-hydroxy-8-methyl-4-oxo-1-benzopyran-7-yl)oxy]-2-hydroxy-5,5-dimethylcyclohexyl] ester IUPAC Name: [(1R,2S,3R)-3-(3-carbamoyl-2-hydroxy-8-methyl-4-oxochromen-7-yl)oxy-2-hydroxy-5,5-dimethylcyclohexyl] N-prop-2-ynoxycarbamate Traditional Name: N-propargyloxycarbamic acid [(1R,2S,3R)-3-(3-carbamoyl-2-hydroxy-4-keto-8-methyl-chromen-7-yl)oxy-2-hydroxy-5,5-dimethyl-cyclohexyl] ester Formula: C23H26N2O9 MolecularWeight: 474.46054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C(=O)N)O)OC3CC(CC(C3O)OC(=O)NOCC#C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C(=O)N)O)O[C@@H]3CC(C[C@H]([C@H]3O)OC(=O)NOCC#C)(C)C

InChI

InChI=1S/C23H26N2O9/c1-5-8-31-25-22(30)33-15-10-23(3,4)9-14(18(15)27)32-13-7-6-12-17(26)16(20(24)28)21(29)34-19(12)11(13)2/h1,6-7,14-15,18,27,29H,8-10H2,2-4H3,(H2,24,28)(H,25,30)/t14-,15-,18+/m1/s1