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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-iodanylphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-iodophenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-iodophenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-iodophenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-iodophenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21IN2O2/c1-12-8-9-16(20(24)25)17-15(7-2-3-10-22)19(23-18(12)17)13-5-4-6-14(21)11-13/h4-6,8-9,11,23H,2-3,7,10,22H2,1H3,(H,24,25)