3-(4-azanylbutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)C

InChI

InChI=1S/C21H24N2O2/c1-13-9-14(2)11-16(10-13)20-17(5-3-4-8-22)18-12-15(21(24)25)6-7-19(18)23-20/h6-7,9-12,23H,3-5,8,22H2,1-2H3,(H,24,25)