5-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]-5-oxo-pentanoic acid CAS Name: 5-[3-[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]phenyl]-5-oxopentanoic acid IUPAC Name: 5-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]-5-oxopentanoic acid Traditional Name: 5-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]-5-keto-valeric acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)C3=CC(=CC=C3)C(=O)CCCC(=O)O)CCNCC2

Isomeric SMILES

C1CC2(CCC1C(=O)C3=CC(=CC=C3)C(=O)CCCC(=O)O)CCNCC2

InChI

InChI=1S/C22H29NO4/c24-19(5-2-6-20(25)26)17-3-1-4-18(15-17)21(27)16-7-9-22(10-8-16)11-13-23-14-12-22/h1,3-4,15-16,23H,2,5-14H2,(H,25,26)