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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO5/c1-28-12-19-18-4-2-3-5-20(18)30-22(19)23(27)29-13-21(26)25-14-24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,15-17H,6-14H2,1H3,(H,25,26)