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

Systemtic Name: 1-[2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate Openeye Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-oxo-ethyl]cycloheptanecarboxylate CAS Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-2-oxoethyl]-1-cycloheptanecarboxylate IUPAC Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-2-oxoethyl]cycloheptane-1-carboxylate Traditional Name: 1-[2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-2-keto-ethyl]cycloheptanecarboxylate Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CC3(CCCCCC3)C(=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CC3(CCCCCC3)C(=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C20H27NO5/c1-13-10-18(23)26-16-11-14(6-7-15(13)16)21-17(22)12-20(19(24)25)8-4-2-3-5-9-20/h10,16,23H,2-9,11-12H2,1H3,(H,24,25)