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

Systemtic Name: ethyl 4-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-oxobut-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H27ClN2O5 MolecularWeight: 482.95598

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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=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O5/c1-4-33-26(31)29-11-9-28(10-12-29)25(30)13-17(2)20-14-21-22(18-5-7-19(27)8-6-18)16-34-24(21)15-23(20)32-3/h5-8,13-16H,4,9-12H2,1-3H3/b17-13+