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

Systemtic Name: (7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-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-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (7-carbethoxyimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C24H30ClNO6 MolecularWeight: 463.9511

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClNO6/c1-2-30-22(29)26-17-3-4-18-16(6-20(27)32-19(18)7-17)12-31-21(28)23-8-14-5-15(9-23)11-24(25,10-14)13-23/h6,14-15,19,27H,2-5,7-13H2,1H3/t14-,15+,19?,23?,24?