2-[3-(4-azanylbutyl)-2-quinolin-5-yl-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-quinolin-5-yl-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-quinolyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-quinolinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-quinolin-5-yl-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-quinolyl)-1H-indol-5-yl]acetic acid Formula: C23H23N3O2 MolecularWeight: 373.44762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC=NC2=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1=CC(=C2C=CC=NC2=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C23H23N3O2/c24-11-2-1-5-18-19-13-15(14-22(27)28)9-10-21(19)26-23(18)17-6-3-8-20-16(17)7-4-12-25-20/h3-4,6-10,12-13,26H,1-2,5,11,14,24H2,(H,27,28)