3-(4-azanylbutyl)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(1,3-benzodioxol-5-yl)-7-chloro-1H-indole-4-carboxylic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C20H19ClN2O4/c21-14-6-5-13(20(24)25)17-12(3-1-2-8-22)18(23-19(14)17)11-4-7-15-16(9-11)27-10-26-15/h4-7,9,23H,1-3,8,10,22H2,(H,24,25)