2-[4-cyano-4-[2-(2,4-dimethylphenyl)ethanoylamino]piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-cyano-4-[2-(2,4-dimethylphenyl)ethanoylamino]piperidin-1-yl]propanoic acid Openeye Name: 2-[4-cyano-4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-piperidyl]propanoic acid CAS Name: 2-[4-cyano-4-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-cyano-4-[[2-(2,4-dimethylphenyl)acetyl]amino]piperidin-1-yl]propanoic acid Traditional Name: 2-[4-cyano-4-[[2-(2,4-dimethylphenyl)acetyl]amino]piperidino]propionic acid Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C#N)C

InChI

InChI=1S/C19H25N3O3/c1-13-4-5-16(14(2)10-13)11-17(23)21-19(12-20)6-8-22(9-7-19)15(3)18(24)25/h4-5,10,15H,6-9,11H2,1-3H3,(H,21,23)(H,24,25)