(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; (2S)-5-ketoproline Formula: C39H53N3O9 MolecularWeight: 707.85282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/2C17H23NO3.C5H7NO3/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;7-4-2-1-3(6-4)5(8)9/h2*2-6,13-16,19H,7-11H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;;3-/m..0/s1