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

Systemtic Name: tert-butyl 4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-methoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)/C)OC

InChI

InChI=1S/C23H30N2O5/c1-15(17-12-18-16(2)14-29-20(18)13-19(17)28-6)11-21(26)24-7-9-25(10-8-24)22(27)30-23(3,4)5/h11-14H,7-10H2,1-6H3/b15-11+