N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2-ethyl-3-benzofuranyl)methyl]-N-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2-ethylbenzofuran-3-yl)methyl]-N-methyl-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-3-24-23(22-11-7-8-12-25(22)32-24)19-28(2)27(31)21-15-17-29(18-16-21)26(30)14-13-20-9-5-4-6-10-20/h4-14,21H,3,15-19H2,1-2H3/b14-13+