tert-butyl 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC)C(=CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)C(=CO2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)/C)C(=CO2)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O5/c1-19(16-25(32)30-12-14-31(15-13-30)28(33)36-29(3,4)5)22-17-23-24(21-10-8-7-9-11-21)18-35-27(23)20(2)26(22)34-6/h7-11,16-18H,12-15H2,1-6H3/b19-16+