4-[(2,4-dimethylphenyl)-ethanoyl-amino]-1-ethanoyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(2,4-dimethylphenyl)-ethanoyl-amino]-1-ethanoyl-piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-(N-acetyl-2,4-dimethyl-anilino)piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-(N-acetyl-2,4-dimethylanilino)-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-(N-acetyl-2,4-dimethylanilino)piperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-(N-acetyl-2,4-dimethyl-anilino)isonipecotic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(=O)C)C2(CCN(CC2)C(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(=O)C)C2(CCN(CC2)C(=O)C)C(=O)O)C

InChI

InChI=1S/C18H24N2O4/c1-12-5-6-16(13(2)11-12)20(15(4)22)18(17(23)24)7-9-19(10-8-18)14(3)21/h5-6,11H,7-10H2,1-4H3,(H,23,24)