butyl 4-[[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoic acid butyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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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)C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5/c1-6-7-12-31-26(29)19-8-10-20(11-9-19)27-23(28)13-16(2)21-14-22-17(3)15-32-25(22)18(4)24(21)30-5/h8-11,13-15H,6-7,12H2,1-5H3,(H,27,28)/b16-13+