ethyl 4-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-1-oxobut-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C27H30N2O5/c1-5-33-27(31)29-12-10-28(11-13-29)26(30)14-19(3)21-15-22-23(20-8-6-18(2)7-9-20)17-34-25(22)16-24(21)32-4/h6-9,14-17H,5,10-13H2,1-4H3/b19-14+