[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C23H25NO6/c25-20(24-23-9-14-5-15(10-23)7-16(6-14)11-23)12-29-22(27)13-28-18-3-1-17-2-4-21(26)30-19(17)8-18/h1-4,8,14-16H,5-7,9-13H2,(H,24,25)