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

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-1H-indole-2-carboxamide Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-1H-indole-2-carboxamide CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-2-carboxamide IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-1H-indole-2-carboxamide Traditional Name: 4-[3-(homoveratrylamino)-2-hydroxy-propoxy]-1H-indole-2-carboxamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=C(N3)C(=O)N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=C(N3)C(=O)N)O)OC

InChI

InChI=1S/C22H27N3O5/c1-28-20-7-6-14(10-21(20)29-2)8-9-24-12-15(26)13-30-19-5-3-4-17-16(19)11-18(25-17)22(23)27/h3-7,10-11,15,24-26H,8-9,12-13H2,1-2H3,(H2,23,27)