N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5/c1-2-29(19-25(31)28-22-9-10-23-24(18-22)35-17-16-34-23)27(33)21-12-14-30(15-13-21)26(32)11-8-20-6-4-3-5-7-20/h3-11,18,21H,2,12-17,19H2,1H3,(H,28,31)/b11-8+