tert-butyl 4-[(E)-3-oxidanyl-3-pyridin-3-yl-prop-2-enoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-oxidanyl-3-pyridin-3-yl-prop-2-enoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-hydroxy-3-(3-pyridyl)prop-2-enoyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-hydroxy-1-oxo-3-(3-pyridinyl)prop-2-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-hydroxy-3-pyridin-3-ylprop-2-enoyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-hydroxy-3-(3-pyridyl)acryloyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C=C(C2=CN=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)/C=C(\C2=CN=CC=C2)/O

InChI

InChI=1S/C18H24N2O4/c1-18(2,3)24-17(23)20-9-6-13(7-10-20)15(21)11-16(22)14-5-4-8-19-12-14/h4-5,8,11-13,22H,6-7,9-10H2,1-3H3/b16-11+