[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO5/c1-13-18-8-17(27-2)3-4-19(18)29-21(13)22(26)28-12-20(25)24-23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,24,25)