[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO5/c1-2-29-13-20-19-5-3-4-6-21(19)31-23(20)24(28)30-14-22(27)26-15-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,16-18H,2,7-15H2,1H3,(H,26,27)