1-[2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate

Systemtic Name: 1-[2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate Openeye Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-oxo-ethyl]cyclohexanecarboxylate CAS Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-2-oxoethyl]-1-cyclohexanecarboxylate IUPAC Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxoethyl]cyclohexane-1-carboxylate Traditional Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-keto-ethyl]cyclohexanecarboxylate Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CC3(CCCCC3)C(=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CC3(CCCCC3)C(=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C19H25NO5/c1-12-9-17(22)25-15-10-13(5-6-14(12)15)20-16(21)11-19(18(23)24)7-3-2-4-8-19/h9,15,22H,2-8,10-11H2,1H3,(H,23,24)