3-(4-azanylbutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-1H-indole-5-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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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)C(=O)O)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c21-8-2-1-3-14-15-9-13(20(23)24)4-6-16(15)22-19(14)12-5-7-17-18(10-12)26-11-25-17/h4-7,9-10,22H,1-3,8,11,21H2,(H,23,24)