4-[[2-(4,7-dimethyl-2-oxidanyl-5-oxidanylidene-6,7,8,8a-tetrahydrochromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-(4,7-dimethyl-2-oxidanyl-5-oxidanylidene-6,7,8,8a-tetrahydrochromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-(2-hydroxy-4,7-dimethyl-5-oxo-6,7,8,8a-tetrahydrochromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-(2-hydroxy-4,7-dimethyl-5-oxo-6,7,8,8a-tetrahydro-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-(2-hydroxy-4,7-dimethyl-5-oxo-6,7,8,8a-tetrahydrochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(2-hydroxy-5-keto-4,7-dimethyl-6,7,8,8a-tetrahydrochromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylate Formula: C21H28NO6- MolecularWeight: 390.45012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(=C(C(=C(O2)O)CC(=O)NCC3CCC(CC3)C(=O)[O-])C)C(=O)C1

Isomeric SMILES

CC1CC2C(=C(C(=C(O2)O)CC(=O)NCC3CCC(CC3)C(=O)[O-])C)C(=O)C1

InChI

InChI=1S/C21H29NO6/c1-11-7-16(23)19-12(2)15(21(27)28-17(19)8-11)9-18(24)22-10-13-3-5-14(6-4-13)20(25)26/h11,13-14,17,27H,3-10H2,1-2H3,(H,22,24)(H,25,26)/p-1