(7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (7-carbethoxyimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C26H34N2O7/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/h7,16-17,21,30H,3-6,8-14H2,1-2H3,(H,28,29)/t16-,17+,21?,25?,26?