[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=O)C5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=O)C5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClNO5/c23-15-1-2-18-16(6-15)17(25)7-19(29-18)21(27)28-11-20(26)24-22-8-12-3-13(9-22)5-14(4-12)10-22/h1-2,6-7,12-14H,3-5,8-11H2,(H,24,26)