ethyl (3S)-1-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(7,8-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(7,8-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(7,8-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]nipecotic acid ethyl ester Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2=C(C3=C(C(=C(C=C3)O)O)OC2=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CC2=C(C3=C(C(=C(C=C3)O)O)OC2=O)C

InChI

InChI=1S/C20H23NO7/c1-3-27-19(25)12-5-4-8-21(10-12)16(23)9-14-11(2)13-6-7-15(22)17(24)18(13)28-20(14)26/h6-7,12,22,24H,3-5,8-10H2,1-2H3/t12-/m0/s1