3-(4-azanylbutyl)-2-[2,6-bis(chloranyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[2,6-bis(chloranyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,6-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C20H20Cl2N2O2 MolecularWeight: 391.291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=C3Cl)Cl)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=C3Cl)Cl)CCCCN

InChI

InChI=1S/C20H20Cl2N2O2/c1-11-8-9-13(20(25)26)16-12(5-2-3-10-23)19(24-18(11)16)17-14(21)6-4-7-15(17)22/h4,6-9,24H,2-3,5,10,23H2,1H3,(H,25,26)