2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-(1H-indol-4-yl)benzamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-(1H-indol-4-yl)benzamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-3-(1H-indol-4-yl)benzamide CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-(1H-indol-4-yl)benzamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-(1H-indol-4-yl)benzamide Traditional Name: 2-[3-(homoveratrylamino)-2-hydroxy-propoxy]-3-(1H-indol-4-yl)benzamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=CC=C2C(=O)N)C3=C4C=CNC4=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=CC=C2C(=O)N)C3=C4C=CNC4=CC=C3)O)OC

InChI

InChI=1S/C28H31N3O5/c1-34-25-10-9-18(15-26(25)35-2)11-13-30-16-19(32)17-36-27-22(6-3-7-23(27)28(29)33)20-5-4-8-24-21(20)12-14-31-24/h3-10,12,14-15,19,30-32H,11,13,16-17H2,1-2H3,(H2,29,33)