N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C31H33N3O5/c1-21(35)32-24-16-18-25(19-17-24)34(31(37)28-20-38-26-14-8-9-15-27(26)39-28)29(22-10-4-2-5-11-22)30(36)33-23-12-6-3-7-13-23/h2,4-5,8-11,14-19,23,28-29H,3,6-7,12-13,20H2,1H3,(H,32,35)(H,33,36)