3-azanyl-4-(oxolan-2-ylmethylamino)benzoic acid

Systemtic Name: 3-azanyl-4-(oxolan-2-ylmethylamino)benzoic acid Openeye Name: 3-amino-4-(tetrahydrofuran-2-ylmethylamino)benzoic acid CAS Name: 3-amino-4-(2-oxolanylmethylamino)benzoic acid IUPAC Name: 3-amino-4-(oxolan-2-ylmethylamino)benzoic acid Traditional Name: 3-amino-4-(tetrahydrofurfurylamino)benzoic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C12H16N2O3/c13-10-6-8(12(15)16)3-4-11(10)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2,(H,15,16)