5-[(2R)-2-azanylpropyl]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(2R)-2-azanylpropyl]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(2R)-2-aminopropyl]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[(2R)-2-aminopropyl]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[(2R)-2-aminopropyl]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(2R)-2-aminopropyl]-3-methyl-coumarilic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CC(C)N)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C[C@@H](C)N)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-7(14)5-9-3-4-11-10(6-9)8(2)12(17-11)13(15)16/h3-4,6-7H,5,14H2,1-2H3,(H,15,16)/t7-/m1/s1