4-(cyclobut-2-en-1-ylmethylamino)benzoic acid

Systemtic Name: 4-(cyclobut-2-en-1-ylmethylamino)benzoic acid Openeye Name: 4-(cyclobut-2-en-1-ylmethylamino)benzoic acid CAS Name: 4-(1-cyclobut-2-enylmethylamino)benzoic acid IUPAC Name: 4-(cyclobut-2-en-1-ylmethylamino)benzoic acid Traditional Name: 4-(cyclobut-2-en-1-ylmethylamino)benzoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC1CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C=CC1CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO2/c14-12(15)10-4-6-11(7-5-10)13-8-9-2-1-3-9/h1-2,4-7,9,13H,3,8H2,(H,14,15)