[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C21H27NO5/c1-14(20(23)22-15-9-5-3-4-6-10-15)26-21(24)19-17(13-25-2)16-11-7-8-12-18(16)27-19/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,22,23)