1-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]isonipecotic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C1CCC2(C=CC(=O)C=C2C1O)C)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H27NO5/c1-12(18(24)21-9-5-13(6-10-21)19(25)26)15-4-8-20(2)7-3-14(22)11-16(20)17(15)23/h3,7,11-13,15,17,23H,4-6,8-10H2,1-2H3,(H,25,26)