2-[3-(4-azanylbutyl)-2-(2,4,6-trimethylphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2,4,6-trimethylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-mesityl-1H-indol-5-yl]acetic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-14-10-15(2)22(16(3)11-14)23-18(6-4-5-9-24)19-12-17(13-21(26)27)7-8-20(19)25-23/h7-8,10-12,25H,4-6,9,13,24H2,1-3H3,(H,26,27)