(2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

Systemtic Name: (2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide Openeye Name: (2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methyl-6-quinolyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide CAS Name: (2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methyl-6-quinolinyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide IUPAC Name: (2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide Traditional Name: (2S)-2-acetamido-N-[[(2R)-5-methyl-7-(2-methyl-6-quinolyl)coumaran-2-yl]methyl]propionamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC4=C3OC(C4)CNC(=O)C(C)NC(=O)C)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC4=C3O[C@H](C4)CNC(=O)[C@H](C)NC(=O)C)C

InChI

InChI=1S/C25H27N3O3/c1-14-9-20-12-21(13-26-25(30)16(3)28-17(4)29)31-24(20)22(10-14)18-7-8-23-19(11-18)6-5-15(2)27-23/h5-11,16,21H,12-13H2,1-4H3,(H,26,30)(H,28,29)/t16-,21+/m0/s1