2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid

Systemtic Name: 2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid Openeye Name: 2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid CAS Name: 2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid IUPAC Name: 2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid Traditional Name: 2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)benzoic acid Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCN=C(NC1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14N2O2/c15-12(16)10-6-2-1-5-9(10)11-13-7-3-4-8-14-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)