[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NCCC3=CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H27NO5/c1-3-26-17-9-10-19-18(13-17)15(2)21(28-19)22(25)27-14-20(24)23-12-11-16-7-5-4-6-8-16/h7,9-10,13H,3-6,8,11-12,14H2,1-2H3,(H,23,24)