methyl 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylcarbamoyl]benzoate CAS Name: 4-[[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylcarbamoyl]benzoate Traditional Name: 4-[(5-ethoxy-2-methyl-coumaran-6-yl)methylcarbamoyl]benzoic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23NO5/c1-4-26-18-10-16-9-13(2)27-19(16)11-17(18)12-22-20(23)14-5-7-15(8-6-14)21(24)25-3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,22,23)