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

Systemtic Name: (3R)-N-[2-(5-acetamido-1-methyl-benzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(5-acetamido-1-methyl-benzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(5-acetamido-1-methyl-2-benzimidazolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(5-acetamido-1-methyl-benzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-13(26)23-14-7-8-16-15(11-14)24-20(25(16)2)9-10-22-21(27)19-12-28-17-5-3-4-6-18(17)29-19/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,27)(H,23,26)/t19-/m1/s1