(2S,3S)-2,3-dimethyl-N-(3-methylbutyl)-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: (2S,3S)-2,3-dimethyl-N-(3-methylbutyl)-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: (2S,3S)-N-isopentyl-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxamide CAS Name: (2S,3S)-2,3-dimethyl-N-(3-methylbutyl)-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: (2S,3S)-2,3-dimethyl-N-(3-methylbutyl)-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: (2S,3S)-N-isoamyl-2,3-dimethyl-coumaran-7-carboxamide Formula: C16H23NO2 MolecularWeight: 261.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)NCCC(C)C)C

Isomeric SMILES

C[C@@H]1[C@@H](OC2=C(C=CC=C12)C(=O)NCCC(C)C)C

InChI

InChI=1S/C16H23NO2/c1-10(2)8-9-17-16(18)14-7-5-6-13-11(3)12(4)19-15(13)14/h5-7,10-12H,8-9H2,1-4H3,(H,17,18)/t11-,12+/m1/s1