(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H28ClNO5 MolecularWeight: 457.94652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)Cl

InChI

InChI=1S/C25H28ClNO5/c1-3-17-5-21-19(7-20(17)26)18(6-22(29)32-21)12-31-23(30)24-8-15-4-16(9-24)11-25(10-15,13-24)27-14(2)28/h5-7,15-16H,3-4,8-13H2,1-2H3,(H,27,28)