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

Systemtic Name: ethyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-oxobut-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-enoyl]nipecotic acid ethyl ester Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C27H28ClNO5/c1-4-33-27(31)19-6-5-11-29(15-19)26(30)12-17(2)21-13-22-23(18-7-9-20(28)10-8-18)16-34-25(22)14-24(21)32-3/h7-10,12-14,16,19H,4-6,11,15H2,1-3H3/b17-12+