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

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C29H33NO5/c1-18(31)30-23-7-8-24-21(10-26(32)35-25(24)11-23)16-34-27(33)29-14-19-9-20(15-29)13-28(12-19,17-29)22-5-3-2-4-6-22/h2-6,10,19-20,25,32H,7-9,11-17H2,1H3/t19-,20+,25?,28?,29?