4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=COC2=C1C(CCC2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-8-7-18-10-4-2-3-9(13(8)10)14-11(15)5-6-12(16)17/h7,9H,2-6H2,1H3,(H,14,15)(H,16,17)