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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-9-4-5-10(7-12(9)16)13(17)15-6-2-3-11(8-15)14(18)19/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,18,19)/t11-/m0/s1