1-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6/c1-3-18-15-23(29)33-21-14-17(2)13-20(24(18)21)32-16-22(28)27-11-9-26(10-12-27,25(30)31)19-7-5-4-6-8-19/h4-8,13-15H,3,9-12,16H2,1-2H3,(H,30,31)