methyl 4-[2-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[2-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[2-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]-5-chloro-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[2-[[(2-acetamido-3-methyl-1-oxobutyl)amino]methyl]-5-chloro-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(2-acetamido-3-methylbutanoyl)amino]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[2-[[(2-acetamido-3-methyl-butanoyl)amino]methyl]-5-chloro-coumaran-7-yl]benzoic acid methyl ester Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)OC)NC(=O)C

InChI

InChI=1S/C24H27ClN2O5/c1-13(2)21(27-14(3)28)23(29)26-12-19-10-17-9-18(25)11-20(22(17)32-19)15-5-7-16(8-6-15)24(30)31-4/h5-9,11,13,19,21H,10,12H2,1-4H3,(H,26,29)(H,27,28)