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

Systemtic Name: ethyl (3S)-1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2=C(C3=C(C(=C(C=C3)O)C)OC2=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCC2=C(C3=C(C(=C(C=C3)O)C)OC2=O)C

InChI

InChI=1S/C22H27NO6/c1-4-28-21(26)15-6-5-11-23(12-15)19(25)10-8-17-13(2)16-7-9-18(24)14(3)20(16)29-22(17)27/h7,9,15,24H,4-6,8,10-12H2,1-3H3/t15-/m0/s1