(3S)-3-methyl-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)[C@@]3(CC4=CC=CC=C4C(=O)O3)C)CC2OC(=C1)O

InChI

InChI=1S/C21H21NO5/c1-12-9-18(23)26-17-10-14(7-8-15(12)17)22-20(25)21(2)11-13-5-3-4-6-16(13)19(24)27-21/h3-6,9,17,23H,7-8,10-11H2,1-2H3/t17?,21-/m0/s1