2-[3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-5-yl]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C22H24N2O4/c23-8-2-1-3-16-17-11-14(12-21(25)26)4-6-18(17)24-22(16)15-5-7-19-20(13-15)28-10-9-27-19/h4-7,11,13,24H,1-3,8-10,12,23H2,(H,25,26)