[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-chromene-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25NO6/c1-28-18-4-2-3-16-8-17(22(27)30-20(16)18)21(26)29-12-19(25)24-23-9-13-5-14(10-23)7-15(6-13)11-23/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,24,25)