methyl 7-chloranyl-2-[(3-methylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: methyl 7-chloranyl-2-[(3-methylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: methyl 7-chloro-2-[(3-methylbutanoylamino)methyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 7-chloro-2-[[(3-methyl-1-oxobutyl)amino]methyl]-2,3-dihydrobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-2-[(3-methylbutanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 7-chloro-2-[(isovalerylamino)methyl]coumaran-5-carboxylic acid methyl ester Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1CC2=C(O1)C(=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)CC(=O)NCC1CC2=C(O1)C(=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C16H20ClNO4/c1-9(2)4-14(19)18-8-12-6-10-5-11(16(20)21-3)7-13(17)15(10)22-12/h5,7,9,12H,4,6,8H2,1-3H3,(H,18,19)