tert-butyl 3-[(E)-3-(dimethylamino)-2-pyridin-3-yl-prop-2-enoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-3-(dimethylamino)-2-pyridin-3-yl-prop-2-enoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(E)-3-(dimethylamino)-2-(3-pyridyl)prop-2-enoyl]piperidine-1-carboxylate CAS Name: 3-[(E)-3-(dimethylamino)-1-oxo-2-(3-pyridinyl)prop-2-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-3-(dimethylamino)-2-pyridin-3-ylprop-2-enoyl]piperidine-1-carboxylate Traditional Name: 3-[(E)-3-(dimethylamino)-2-(3-pyridyl)acryloyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)C(=CN(C)C)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)/C(=C/N(C)C)/C2=CN=CC=C2

InChI

InChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)23-11-7-9-16(13-23)18(24)17(14-22(4)5)15-8-6-10-21-12-15/h6,8,10,12,14,16H,7,9,11,13H2,1-5H3/b17-14+