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

Systemtic Name: 3-(4-azanylbutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indole-5-carboxylic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C22H26N2O5/c1-27-18-11-14(12-19(28-2)21(18)29-3)20-15(6-4-5-9-23)16-10-13(22(25)26)7-8-17(16)24-20/h7-8,10-12,24H,4-6,9,23H2,1-3H3,(H,25,26)