ethyl (3S)-1-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxyacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxyacetyl]nipecotic acid ethyl ester Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H25NO7/c1-2-31-25(30)17-9-6-10-26(14-17)23(29)15-32-18-11-19(27)24-20(28)13-21(33-22(24)12-18)16-7-4-3-5-8-16/h3-5,7-8,11-13,17,27H,2,6,9-10,14-15H2,1H3/t17-/m0/s1