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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indol-5-yl]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C21H22N2O4/c22-8-2-1-3-15-16-9-13(10-20(24)25)4-6-17(16)23-21(15)14-5-7-18-19(11-14)27-12-26-18/h4-7,9,11,23H,1-3,8,10,12,22H2,(H,24,25)