2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(5-chlorocoumaran-2-carbonyl)amino]-3-methyl-butyric acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C14H16ClNO4/c1-7(2)12(14(18)19)16-13(17)11-6-8-5-9(15)3-4-10(8)20-11/h3-5,7,11-12H,6H2,1-2H3,(H,16,17)(H,18,19)