(3R)-N-[[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[[1-methyl-5-[(2-methyl-1-oxopropyl)amino]-2-benzimidazolyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[[5-(isobutyrylamino)-1-methyl-benzimidazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)N(C(=N2)CNC(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)N(C(=N2)CNC(=O)[C@H]3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H24N4O4/c1-13(2)21(27)24-14-8-9-16-15(10-14)25-20(26(16)3)11-23-22(28)19-12-29-17-6-4-5-7-18(17)30-19/h4-10,13,19H,11-12H2,1-3H3,(H,23,28)(H,24,27)/t19-/m1/s1