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

Systemtic Name: 2-[4-cyano-4-[2-(2,4-dichlorophenyl)ethanoylamino]piperidin-1-yl]propanoic acid Openeye Name: 2-[4-cyano-4-[[2-(2,4-dichlorophenyl)acetyl]amino]-1-piperidyl]propanoic acid CAS Name: 2-[4-cyano-4-[[2-(2,4-dichlorophenyl)-1-oxoethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-cyano-4-[[2-(2,4-dichlorophenyl)acetyl]amino]piperidin-1-yl]propanoic acid Traditional Name: 2-[4-cyano-4-[[2-(2,4-dichlorophenyl)acetyl]amino]piperidino]propionic acid Formula: C17H19Cl2N3O3 MolecularWeight: 384.25706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(CC1)(C#N)NC(=O)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)O)N1CCC(CC1)(C#N)NC(=O)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O3/c1-11(16(24)25)22-6-4-17(10-20,5-7-22)21-15(23)8-12-2-3-13(18)9-14(12)19/h2-3,9,11H,4-8H2,1H3,(H,21,23)(H,24,25)