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

Systemtic Name: butyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoic acid butyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

Click to see the large picture

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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-6-8-13-32-27(30)20-9-11-21(12-10-20)28-24(29)14-17(3)22-15-23-18(4)16-33-26(23)19(5)25(22)31-7-2/h9-12,14-16H,6-8,13H2,1-5H3,(H,28,29)/b17-14+