ethyl 4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(5-hex-1-ynylnicotinoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C20H27N3O3/c1-3-5-6-7-8-16-13-17(15-21-14-16)19(24)22-18-9-11-23(12-10-18)20(25)26-4-2/h13-15,18H,3-6,9-12H2,1-2H3,(H,22,24)