3-(4-azanylbutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,4-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN)C

InChI

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