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

Systemtic Name: ethyl 4-[(E)-3-(6-methoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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=CC=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-5-33-27(31)29-13-11-28(12-14-29)24(30)15-18(2)21-16-22-23(20-9-7-6-8-10-20)17-34-26(22)19(3)25(21)32-4/h6-10,15-17H,5,11-14H2,1-4H3/b18-15+