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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO5/c1-14-20-9-19(29-3)4-5-21(20)31-23(14)24(28)30-13-22(27)26-15(2)25-10-16-6-17(11-25)8-18(7-16)12-25/h4-5,9,15-18H,6-8,10-13H2,1-3H3,(H,26,27)