2-[[3-(5-fluoranyl-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid

Systemtic Name: 2-[[3-(5-fluoranyl-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Openeye Name: 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid CAS Name: 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid IUPAC Name: 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Traditional Name: 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]-7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CC(O2)CNCCCC3=CNC4=C3C=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(CC(O2)CNCCCC3=CNC4=C3C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H24FN3O4/c1-29-16-5-7-20-21(10-16)30-17(13-26(20)22(27)28)12-24-8-2-3-14-11-25-19-6-4-15(23)9-18(14)19/h4-7,9-11,17,24-25H,2-3,8,12-13H2,1H3,(H,27,28)