1-(1-cyanocyclopropyl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1-cyanocyclopropyl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(1-cyanocyclopropyl)-oxomethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(1-cyanocyclopropanecarbonyl)isonipecotic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC1(C#N)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O3/c19-13-18(6-7-18)15(21)20-10-8-17(9-11-20,16(22)23)12-14-4-2-1-3-5-14/h1-5H,6-12H2,(H,22,23)