3-(4-azanylbutyl)-2-(2,4,6-trimethylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2,4,6-trimethylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,4,6-trimethylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-mesityl-1H-indole-5-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-13-10-14(2)20(15(3)11-13)21-17(6-4-5-9-23)18-12-16(22(25)26)7-8-19(18)24-21/h7-8,10-12,24H,4-6,9,23H2,1-3H3,(H,25,26)