[3-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]ethyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [3-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]ethyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [3-[2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]ethyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]ethyl]phenyl] ester IUPAC Name: [3-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]ethyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-[2-[[(E)-3-(3-pyridyl)acryloyl]amino]ethyl]phenyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=CC(=C1)CCNC(=O)C=CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=CC(=C1)CCNC(=O)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C21H24N2O3/c1-21(2,3)20(25)26-18-8-4-6-16(14-18)11-13-23-19(24)10-9-17-7-5-12-22-15-17/h4-10,12,14-15H,11,13H2,1-3H3,(H,23,24)/b10-9+