1-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(4-ethyl-2-keto-chromen-7-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25NO6/c1-2-17-14-23(28)32-21-15-19(8-9-20(17)21)31-16-22(27)26-12-10-25(11-13-26,24(29)30)18-6-4-3-5-7-18/h3-9,14-15H,2,10-13,16H2,1H3,(H,29,30)