methyl (1R,2R,4S)-2-[oxidanyl(phenyl)methyl]-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: methyl (1R,2R,4S)-2-[oxidanyl(phenyl)methyl]-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: methyl (1R,2R,4S)-3-benzyl-2-[hydroxy(phenyl)methyl]-3-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1R,2R,4S)-2-[hydroxy(phenyl)methyl]-3-(phenylmethyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-3-benzyl-2-[hydroxy(phenyl)methyl]-3-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1R,2R,4S)-3-benzyl-2-[hydroxy(phenyl)methyl]-3-azabicyclo[2.2.1]heptane-2-carboxylic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2CCC(C2)N1CC3=CC=CC=C3)C(C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)[C@@]1([C@@H]2CC[C@@H](C2)N1CC3=CC=CC=C3)C(C4=CC=CC=C4)O

InChI

InChI=1S/C22H25NO3/c1-26-21(25)22(20(24)17-10-6-3-7-11-17)18-12-13-19(14-18)23(22)15-16-8-4-2-5-9-16/h2-11,18-20,24H,12-15H2,1H3/t18-,19+,20?,22-/m1/s1