3-(4-azanylbutyl)-7-chloranyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-4-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H21ClN2O4/c22-15-6-5-14(21(25)26)18-13(3-1-2-8-23)19(24-20(15)18)12-4-7-16-17(11-12)28-10-9-27-16/h4-7,11,24H,1-3,8-10,23H2,(H,25,26)