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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2,4,6-trimethylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-mesityl-1H-indole-4-carboxylic acid Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2/c1-12-10-13(2)18(14(3)11-12)20-15(6-4-5-9-24)19-16(22(26)27)7-8-17(23)21(19)25-20/h7-8,10-11,25H,4-6,9,24H2,1-3H3,(H,26,27)