methyl 4-[(2R)-2-[(3-acetamidopropanoylamino)methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[(2R)-2-[(3-acetamidopropanoylamino)methyl]-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[(2R)-2-[(3-acetamidopropanoylamino)methyl]-5-chloro-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[(2R)-2-[[(3-acetamido-1-oxopropyl)amino]methyl]-5-chloro-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-[(3-acetamidopropanoylamino)methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[(2R)-2-[(3-acetamidopropanoylamino)methyl]-5-chloro-coumaran-7-yl]benzoic acid methyl ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NCCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23ClN2O5/c1-13(26)24-8-7-20(27)25-12-18-10-16-9-17(23)11-19(21(16)30-18)14-3-5-15(6-4-14)22(28)29-2/h3-6,9,11,18H,7-8,10,12H2,1-2H3,(H,24,26)(H,25,27)/t18-/m1/s1