(E)-N-cycloheptyl-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enamide

Systemtic Name: (E)-N-cycloheptyl-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enamide Openeye Name: (E)-N-cycloheptyl-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enamide CAS Name: (E)-N-cycloheptyl-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-2-butenamide IUPAC Name: (E)-N-cycloheptyl-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enamide Traditional Name: (E)-N-cycloheptyl-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enamide Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4CCCCCC4)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)NC4CCCCCC4)/C)OC

InChI

InChI=1S/C27H31NO3/c1-18-10-12-20(13-11-18)24-17-31-26-16-25(30-3)22(15-23(24)26)19(2)14-27(29)28-21-8-6-4-5-7-9-21/h10-17,21H,4-9H2,1-3H3,(H,28,29)/b19-14+