5-chloranyl-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: 5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]-3,6-dimethyl-coumarilamide Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)Cl)C)N(C)C

InChI

InChI=1S/C22H25ClN2O2/c1-13-6-8-16(9-7-13)19(25(4)5)12-24-22(26)21-15(3)17-11-18(23)14(2)10-20(17)27-21/h6-11,19H,12H2,1-5H3,(H,24,26)/t19-/m1/s1