(E)-1-(3,5-dimethylpiperidin-1-yl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-en-1-one

Systemtic Name: (E)-1-(3,5-dimethylpiperidin-1-yl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-en-1-one Openeye Name: (E)-1-(3,5-dimethyl-1-piperidyl)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-en-1-one CAS Name: (E)-1-(3,5-dimethyl-1-piperidinyl)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-2-buten-1-one IUPAC Name: (E)-1-(3,5-dimethylpiperidin-1-yl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-en-1-one Traditional Name: (E)-1-(3,5-dimethylpiperidino)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-en-1-one Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC)C

InChI

InChI=1S/C27H31NO3/c1-17-6-8-21(9-7-17)24-16-31-26-13-25(30-5)22(12-23(24)26)20(4)11-27(29)28-14-18(2)10-19(3)15-28/h6-9,11-13,16,18-19H,10,14-15H2,1-5H3/b20-11+