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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(3,4,5-trimethoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(3,4,5-trimethoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(3,4,5-trimethoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(3,4,5-trimethoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(3,4,5-trimethoxyphenyl)-1H-indole-4-carboxylic acid Formula: C22H25ClN2O5 MolecularWeight: 432.8973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C22H25ClN2O5/c1-28-16-10-12(11-17(29-2)21(16)30-3)19-13(6-4-5-9-24)18-14(22(26)27)7-8-15(23)20(18)25-19/h7-8,10-11,25H,4-6,9,24H2,1-3H3,(H,26,27)