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

Systemtic Name: tert-butyl 4-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-19(15-26(31)29-11-13-30(14-12-29)27(32)35-28(2,3)4)21-16-22-23(20-9-7-6-8-10-20)18-34-25(22)17-24(21)33-5/h6-10,15-18H,11-14H2,1-5H3/b19-15+