2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2,3-dimethyl-2,3-dihydrobenzofuran-7-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2,3-dimethylcoumaran-7-carbonyl)amino]-3-methyl-butyric acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)NC(C(C)C)C(=O)O)C

InChI

InChI=1S/C16H21NO4/c1-8(2)13(16(19)20)17-15(18)12-7-5-6-11-9(3)10(4)21-14(11)12/h5-10,13H,1-4H3,(H,17,18)(H,19,20)