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

Systemtic Name: 4-bromanyl-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-bromo-N-phenyl-benzamide CAS Name: 4-bromo-N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-N-phenylbenzamide IUPAC Name: 4-bromo-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-bromo-N-phenyl-benzamide Formula: C38H34BrNO4 MolecularWeight: 648.58486

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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)Br

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)Br

InChI

InChI=1S/C38H34BrNO4/c1-2-26(22-25-10-5-3-6-11-25)34-24-33(41)36(38(43)44-34)35(27-16-17-27)29-12-9-15-32(23-29)40(31-13-7-4-8-14-31)37(42)28-18-20-30(39)21-19-28/h3-15,18-21,23-24,26-27,35,43H,2,16-17,22H2,1H3