methyl (2S,3R)-2-aminocarbonyl-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: methyl (2S,3R)-2-aminocarbonyl-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-4-carboxylate Openeye Name: methyl (2S,3R)-2-carbamoyl-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-4-carboxylate CAS Name: (2S,3R)-3-[anilino(oxo)methyl]-2-carbamoyl-4-bicyclo[2.2.2]octanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-carbamoyl-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-4-carboxylate Traditional Name: (2S,3R)-2-carbamoyl-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-4-carboxylic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(CC1)C(C2C(=O)NC3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC(=O)C12CCC(CC1)[C@@H]([C@H]2C(=O)NC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H22N2O4/c1-24-17(23)18-9-7-11(8-10-18)13(15(19)21)14(18)16(22)20-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H2,19,21)(H,20,22)/t11?,13-,14-,18?/m0/s1