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

Systemtic Name: methyl 2-[(2R)-5-methyl-2-[(2-methylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 2-[(2R)-5-methyl-2-[(2-methylpropanoylamino)methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 2-[(2R)-5-methyl-2-[[(2-methyl-1-oxopropyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2R)-5-methyl-2-[(2-methylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 2-[(2R)-2-[(isobutyrylamino)methyl]-5-methyl-coumaran-7-yl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=CC=CC=C3C(=O)OC)OC(C2)CNC(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=CC=CC=C3C(=O)OC)O[C@H](C2)CNC(=O)C(C)C

InChI

InChI=1S/C22H25NO4/c1-13(2)21(24)23-12-16-11-15-9-14(3)10-19(20(15)27-16)17-7-5-6-8-18(17)22(25)26-4/h5-10,13,16H,11-12H2,1-4H3,(H,23,24)/t16-/m1/s1