(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H24BrNO5 MolecularWeight: 474.34436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H24BrNO5/c1-13(26)25-17-2-3-18-16(5-20(27)30-19(18)6-17)11-29-21(28)22-7-14-4-15(8-22)10-23(24,9-14)12-22/h2-3,5-6,14-15H,4,7-12H2,1H3,(H,25,26)