1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoyl]-4-phenyl-isonipecotic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H27NO6/c1-16-19-8-10-21(28)17(2)23(19)33-24(30)20(16)9-11-22(29)27-14-12-26(13-15-27,25(31)32)18-6-4-3-5-7-18/h3-8,10,28H,9,11-15H2,1-2H3,(H,31,32)