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

Systemtic Name: (3S)-1-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoyl]piperidine-3-carboxylate Openeye Name: (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-piperidinecarboxylate IUPAC Name: (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]nipecotate Formula: C23H20NO7- MolecularWeight: 422.4074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C(=O)[O-]

InChI

InChI=1S/C23H21NO7/c25-17-9-16(30-13-21(27)24-8-4-7-15(12-24)23(28)29)10-20-22(17)18(26)11-19(31-20)14-5-2-1-3-6-14/h1-3,5-6,9-11,15,25H,4,7-8,12-13H2,(H,28,29)/p-1/t15-/m0/s1