4-[(5-methylfuran-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(5-methylfuran-2-yl)methylamino]benzoic acid Openeye Name: 4-[(5-methyl-2-furyl)methylamino]benzoic acid CAS Name: 4-[(5-methyl-2-furanyl)methylamino]benzoic acid IUPAC Name: 4-[(5-methylfuran-2-yl)methylamino]benzoic acid Traditional Name: 4-[(5-methyl-2-furyl)methylamino]benzoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO3/c1-9-2-7-12(17-9)8-14-11-5-3-10(4-6-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)