tert-butyl 4-[(E)-2-oxidanylidene-4-phenyl-3-pyridin-4-yl-but-3-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-oxidanylidene-4-phenyl-3-pyridin-4-yl-but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-oxo-4-phenyl-3-(4-pyridyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-2-oxo-4-phenyl-3-pyridin-4-ylbut-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-oxo-4-phenyl-3-pyridin-4-ylbut-3-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-2-keto-4-phenyl-3-(4-pyridyl)but-3-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)C(=CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=NC=C3

InChI

InChI=1S/C25H30N2O3/c1-25(2,3)30-24(29)27-15-11-20(12-16-27)18-23(28)22(21-9-13-26-14-10-21)17-19-7-5-4-6-8-19/h4-10,13-14,17,20H,11-12,15-16,18H2,1-3H3/b22-17+