(3S)-1-(4-methyl-2-oxidanyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-methyl-2-oxidanyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-hydroxy-4-methyl-benzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-hydroxy-4-methylphenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-hydroxy-4-methyl-benzoyl)nipecotic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCCC(C2)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)O)O

InChI

InChI=1S/C14H17NO4/c1-9-4-5-11(12(16)7-9)13(17)15-6-2-3-10(8-15)14(18)19/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,18,19)/t10-/m0/s1