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

Systemtic Name: 3-(4-azanylbutyl)-2-(3,4-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,4-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,4-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,4-dichlorophenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,4-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=CC(=C(C=C3)Cl)Cl)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O2/c1-11-5-7-14(20(25)26)17-13(4-2-3-9-23)19(24-18(11)17)12-6-8-15(21)16(22)10-12/h5-8,10,24H,2-4,9,23H2,1H3,(H,25,26)