4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanyl-propoxy]-1H-indole-3-carbonitrile

Systemtic Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanyl-propoxy]-1H-indole-3-carbonitrile Openeye Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-hydroxy-propoxy]-1H-indole-3-carbonitrile CAS Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-hydroxypropoxy]-1H-indole-3-carbonitrile IUPAC Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-hydroxypropoxy]-1H-indole-3-carbonitrile Traditional Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-hydroxy-propoxy]-1H-indole-3-carbonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=CC4=C3C(=CN4)C#N)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNCC(COC3=CC=CC4=C3C(=CN4)C#N)O

InChI

InChI=1S/C21H21N3O4/c22-8-14-9-24-17-4-3-7-20(21(14)17)26-12-15(25)10-23-11-16-13-27-18-5-1-2-6-19(18)28-16/h1-7,9,15-16,23-25H,10-13H2