4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-indole-3-carbonitrile

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-indole-3-carbonitrile Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-1H-indole-3-carbonitrile CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-3-carbonitrile IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-3-carbonitrile Traditional Name: 4-[3-(homoveratrylamino)-2-hydroxy-propoxy]-1H-indole-3-carbonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C(=CN3)C#N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C(=CN3)C#N)O)OC

InChI

InChI=1S/C22H25N3O4/c1-27-19-7-6-15(10-21(19)28-2)8-9-24-13-17(26)14-29-20-5-3-4-18-22(20)16(11-23)12-25-18/h3-7,10,12,17,24-26H,8-9,13-14H2,1-2H3