(E)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)-1-[4-(phenylmethyl)piperidin-1-yl]but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)-1-[4-(phenylmethyl)piperidin-1-yl]but-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1-piperidyl)-3-(6-methoxy-2,3-dimethyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-2,3-dimethyl-5-benzofuranyl)-1-[4-(phenylmethyl)-1-piperidinyl]-2-buten-1-one IUPAC Name: (E)-1-(4-benzylpiperidin-1-yl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperidino)-3-(6-methoxy-2,3-dimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)N3CCC(CC3)CC4=CC=CC=C4)C)OC)C

Isomeric SMILES

CC1=C(OC2=CC(=C(C=C12)/C(=C/C(=O)N3CCC(CC3)CC4=CC=CC=C4)/C)OC)C

InChI

InChI=1S/C27H31NO3/c1-18(23-16-24-19(2)20(3)31-26(24)17-25(23)30-4)14-27(29)28-12-10-22(11-13-28)15-21-8-6-5-7-9-21/h5-9,14,16-17,22H,10-13,15H2,1-4H3/b18-14+