butyl 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-1-oxobut-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-enoyl]amino]benzoic acid butyl ester Formula: C31H31NO5 MolecularWeight: 497.58154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C(\C)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C31H31NO5/c1-5-6-15-36-31(34)23-11-13-24(14-12-23)32-30(33)16-21(3)25-17-26-27(22-9-7-20(2)8-10-22)19-37-29(26)18-28(25)35-4/h7-14,16-19H,5-6,15H2,1-4H3,(H,32,33)/b21-16+