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

Systemtic Name: 3-(4-azanylbutyl)-2-(4-ethoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-p-phenetyl-1H-indole-5-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C21H24N2O3/c1-2-26-16-9-6-14(7-10-16)20-17(5-3-4-12-22)18-13-15(21(24)25)8-11-19(18)23-20/h6-11,13,23H,2-5,12,22H2,1H3,(H,24,25)