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

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(5-chlorocoumaran-2-carbonyl)amino]-3,3-dimethyl-butyric acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO4/c1-15(2,3)12(14(19)20)17-13(18)11-7-8-6-9(16)4-5-10(8)21-11/h4-6,11-12H,7H2,1-3H3,(H,17,18)(H,19,20)