methyl 2-(cyclohexylamino)-3-(2-prop-2-enoxyphenyl)-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-(cyclohexylamino)-3-(2-prop-2-enoxyphenyl)-1-benzofuran-5-carboxylate Openeye Name: methyl 3-(2-allyloxyphenyl)-2-(cyclohexylamino)benzofuran-5-carboxylate CAS Name: 2-(cyclohexylamino)-3-(2-prop-2-enoxyphenyl)-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexylamino)-3-(2-prop-2-enoxyphenyl)-1-benzofuran-5-carboxylate Traditional Name: 3-(2-allyloxyphenyl)-2-(cyclohexylamino)benzofuran-5-carboxylic acid methyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3OCC=C)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3OCC=C)NC4CCCCC4

InChI

InChI=1S/C25H27NO4/c1-3-15-29-21-12-8-7-11-19(21)23-20-16-17(25(27)28-2)13-14-22(20)30-24(23)26-18-9-5-4-6-10-18/h3,7-8,11-14,16,18,26H,1,4-6,9-10,15H2,2H3