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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-phenoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indole-5-carboxylic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN

InChI

InChI=1S/C25H24N2O3/c26-14-5-4-11-21-22-16-18(25(28)29)12-13-23(22)27-24(21)17-7-6-10-20(15-17)30-19-8-2-1-3-9-19/h1-3,6-10,12-13,15-16,27H,4-5,11,14,26H2,(H,28,29)