methyl (5S,7R)-3-(4-aminophenyl)adamantane-1-carboxylate

Systemtic Name: methyl (5S,7R)-3-(4-aminophenyl)adamantane-1-carboxylate Openeye Name: methyl (5S,7R)-3-(4-aminophenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-aminophenyl)-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-3-(4-aminophenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-aminophenyl)adamantane-1-carboxylic acid methyl ester Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)N

Isomeric SMILES

COC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)N

InChI

InChI=1S/C18H23NO2/c1-21-16(20)18-9-12-6-13(10-18)8-17(7-12,11-18)14-2-4-15(19)5-3-14/h2-5,12-13H,6-11,19H2,1H3/t12-,13+,17?,18?