3-(4-azanylbutyl)-7-chloranyl-2-(4-methylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(4-methylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(p-tolyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(4-methylphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(4-methylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(p-tolyl)-1H-indole-4-carboxylic acid Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O2/c1-12-5-7-13(8-6-12)18-14(4-2-3-11-22)17-15(20(24)25)9-10-16(21)19(17)23-18/h5-10,23H,2-4,11,22H2,1H3,(H,24,25)