3-(4-azanylbutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC(=C3)C)C)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CC(=C3)C)C)CCCCN

InChI

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