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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]acetic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)C

InChI

InChI=1S/C22H26N2O2/c1-14-9-15(2)11-17(10-14)22-18(5-3-4-8-23)19-12-16(13-21(25)26)6-7-20(19)24-22/h6-7,9-12,24H,3-5,8,13,23H2,1-2H3,(H,25,26)