1-[(3-ethynylphenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethynylphenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethynylphenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethynylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethynylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-ethynylphenyl)carbamoyl]nipecotic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H16N2O3/c1-2-11-5-3-7-13(9-11)16-15(20)17-8-4-6-12(10-17)14(18)19/h1,3,5,7,9,12H,4,6,8,10H2,(H,16,20)(H,18,19)