(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O6/c1-16(31)29-21-4-5-22-20(10-25(32)36-24(22)11-21)15-35-26(33)23-3-2-6-30(23)27(34)28-12-17-7-18(13-28)9-19(8-17)14-28/h4-5,10-11,17-19,23H,2-3,6-9,12-15H2,1H3,(H,29,31)