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

Systemtic Name: 1-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoyl]-4-phenyl-isonipecotic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25NO6/c1-16-19-8-7-18(27)15-21(19)32-23(29)20(16)9-10-22(28)26-13-11-25(12-14-26,24(30)31)17-5-3-2-4-6-17/h2-8,15,27H,9-14H2,1H3,(H,30,31)