(1S,3S,4R,5R)-2-[4-(aminomethyl)phenyl]carbonyl-8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Systemtic Name: (1S,3S,4R,5R)-2-[4-(aminomethyl)phenyl]carbonyl-8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Openeye Name: (1S,3S,4R,5R)-2-[4-(aminomethyl)benzoyl]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid CAS Name: (1S,3S,4R,5R)-2-[[4-(aminomethyl)phenyl]-oxomethyl]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid IUPAC Name: (1S,3S,4R,5R)-2-[4-(aminomethyl)benzoyl]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Traditional Name: (1S,3S,4R,5R)-2-[4-(aminomethyl)benzoyl]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2C(=O)C3=CC=C(C=C3)CN)O)C(=O)O

Isomeric SMILES

CN1[C@@H]2CC[C@H]1C([C@@H]([C@@H]2C(=O)O)O)C(=O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C17H22N2O4/c1-19-11-6-7-12(19)14(17(22)23)16(21)13(11)15(20)10-4-2-9(8-18)3-5-10/h2-5,11-14,16,21H,6-8,18H2,1H3,(H,22,23)/t11-,12+,13?,14+,16-/m0/s1