2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]butyric acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=COC2=C1C=CC(=C2)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=COC2=C1C=CC(=C2)C

InChI

InChI=1S/C15H17NO4/c1-3-12(15(18)19)16-14(17)7-10-8-20-13-6-9(2)4-5-11(10)13/h4-6,8,12H,3,7H2,1-2H3,(H,16,17)(H,18,19)