ethyl (3S)-1-(3-methylbut-2-enoyl)-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methylbut-2-enoyl)-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate CAS Name: (3S)-1-(3-methyl-1-oxobut-2-enyl)-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(3-methylbut-2-enoyl)nipecotic acid ethyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-4-24-19(23)20(14-17-9-6-5-7-10-17)11-8-12-21(15-20)18(22)13-16(2)3/h5-7,9-10,13H,4,8,11-12,14-15H2,1-3H3/t20-/m0/s1