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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-[3-(dimethylamino)phenyl]-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-1H-indol-5-yl]acetic acid Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-25(2)17-7-5-6-16(14-17)22-18(8-3-4-11-23)19-12-15(13-21(26)27)9-10-20(19)24-22/h5-7,9-10,12,14,24H,3-4,8,11,13,23H2,1-2H3,(H,26,27)