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

Systemtic Name: butyl 4-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-ethoxy-3-phenyl-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=CC=C4)OCC

Isomeric SMILES

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

InChI

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