ethyl (3S)-1-but-2-ynoyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-but-2-ynoyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-but-2-ynoyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(1-oxobut-2-ynyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-but-2-ynoyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-but-2-ynoyl-3-m-anisyl-nipecotic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C#CC)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C#CC)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H25NO4/c1-4-8-18(22)21-12-7-11-20(15-21,19(23)25-5-2)14-16-9-6-10-17(13-16)24-3/h6,9-10,13H,5,7,11-12,14-15H2,1-3H3/t20-/m0/s1