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

Systemtic Name: tert-butyl 4-[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)/C)OC

InChI

InChI=1S/C29H34N2O5/c1-19-7-9-21(10-8-19)24-18-35-26-17-25(34-6)22(16-23(24)26)20(2)15-27(32)30-11-13-31(14-12-30)28(33)36-29(3,4)5/h7-10,15-18H,11-14H2,1-6H3/b20-15+