[(1R,3R,6S)-3-azanyl-6-oxidanyl-cycloheptyl] benzoate

Systemtic Name: [(1R,3R,6S)-3-azanyl-6-oxidanyl-cycloheptyl] benzoate Openeye Name: [(1R,3R,6S)-3-amino-6-hydroxy-cycloheptyl] benzoate CAS Name: benzoic acid [(1R,3R,6S)-3-amino-6-hydroxycycloheptyl] ester IUPAC Name: [(1R,3R,6S)-3-amino-6-hydroxycycloheptyl] benzoate Traditional Name: benzoic acid [(1R,3R,6S)-3-amino-6-hydroxy-cycloheptyl] ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(CC1N)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](C[C@@H](C[C@@H]1N)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H19NO3/c15-11-6-7-12(16)9-13(8-11)18-14(17)10-4-2-1-3-5-10/h1-5,11-13,16H,6-9,15H2/t11-,12+,13-/m1/s1