N-[(2S,3S)-4-(4-chlorophenyl)-3-phenyl-butan-2-yl]-3-methyl-2H-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-phenyl-butan-2-yl]-3-methyl-2H-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenyl-propyl]-3-methyl-2H-1,4-benzodioxine-3-carboxamide CAS Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-3-methyl-2H-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-3-methyl-2H-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenyl-propyl]-3-methyl-2H-1,4-benzodioxin-3-carboxamide Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC=C2)NC(=O)C3(COC4=CC=CC=C4O3)C

Isomeric SMILES

C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC=CC=C2)NC(=O)C3(COC4=CC=CC=C4O3)C

InChI

InChI=1S/C26H26ClNO3/c1-18(28-25(29)26(2)17-30-23-10-6-7-11-24(23)31-26)22(20-8-4-3-5-9-20)16-19-12-14-21(27)15-13-19/h3-15,18,22H,16-17H2,1-2H3,(H,28,29)/t18-,22+,26?/m0/s1