3-(4-azanylbutyl)-7-methyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-mesityl-7-methyl-1H-indole-4-carboxylic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=C(C=C3C)C)C)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=C(C=C3C)C)C)CCCCN

InChI

InChI=1S/C23H28N2O2/c1-13-11-15(3)19(16(4)12-13)22-17(7-5-6-10-24)20-18(23(26)27)9-8-14(2)21(20)25-22/h8-9,11-12,25H,5-7,10,24H2,1-4H3,(H,26,27)