3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid

Systemtic Name: 3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid Openeye Name: 3-[[3-(2-furyl)-1-methyl-propyl]amino]benzoic acid CAS Name: 3-[4-(2-furanyl)butan-2-ylamino]benzoic acid IUPAC Name: 3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid Traditional Name: 3-[[3-(2-furyl)-1-methyl-propyl]amino]benzoic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CO1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H17NO3/c1-11(7-8-14-6-3-9-19-14)16-13-5-2-4-12(10-13)15(17)18/h2-6,9-11,16H,7-8H2,1H3,(H,17,18)