(3S)-1-[(3-cyanophenyl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(3-cyanophenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(3-cyanophenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-cyanoanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(3-cyanophenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-cyanophenyl)carbamoyl]nipecotate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c15-8-10-3-1-5-12(7-10)16-14(20)17-6-2-4-11(9-17)13(18)19/h1,3,5,7,11H,2,4,6,9H2,(H,16,20)(H,18,19)/p-1/t11-/m0/s1