N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-[3-(pivaloylamino)phenyl]isonipecotamide Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)25(32)28-22-11-7-10-21(18-22)27-24(31)20-14-16-29(17-15-20)23(30)13-12-19-8-5-4-6-9-19/h4-13,18,20H,14-17H2,1-3H3,(H,27,31)(H,28,32)/b13-12+