[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H30N2O7/c1-3-33-24(32)27-19-4-5-20-18(7-22(30)35-21(20)8-19)13-34-23(31)25-9-16-6-17(10-25)12-26(11-16,14-25)28-15(2)29/h4-5,7-8,16-17H,3,6,9-14H2,1-2H3,(H,27,32)(H,28,29)/t16-,17+,25?,26?