4-cyano-N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-N-phenyl-benzamide

Systemtic Name: 4-cyano-N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-N-phenyl-benzamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-cyano-N-phenyl-benzamide CAS Name: 4-cyano-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-N-phenylbenzamide IUPAC Name: 4-cyano-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-N-phenylbenzamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-4-cyano-N-phenyl-benzamide Formula: C39H34N2O4 MolecularWeight: 594.69826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)N(C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)N(C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C39H34N2O4/c1-2-28(22-26-10-5-3-6-11-26)35-24-34(42)37(39(44)45-35)36(29-20-21-29)31-12-9-15-33(23-31)41(32-13-7-4-8-14-32)38(43)30-18-16-27(25-40)17-19-30/h3-19,23-24,28-29,36,44H,2,20-22H2,1H3