4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid Openeye Name: 4-methyl-3-[1-(5-methyl-2-furyl)ethylamino]benzoic acid CAS Name: 4-methyl-3-[1-(5-methyl-2-furanyl)ethylamino]benzoic acid IUPAC Name: 4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzoic acid Traditional Name: 4-methyl-3-[1-(5-methyl-2-furyl)ethylamino]benzoic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=C(O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=C(O2)C

InChI

InChI=1S/C15H17NO3/c1-9-4-6-12(15(17)18)8-13(9)16-11(3)14-7-5-10(2)19-14/h4-8,11,16H,1-3H3,(H,17,18)