2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxylic acid Openeye Name: 2-(3,5-dimethylphenyl)-3-[2-[4-(4-pyridyl)butylamino]ethyl]-1H-indole-5-carboxylic acid CAS Name: 2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxylic acid IUPAC Name: 2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxylic acid Traditional Name: 2-(3,5-dimethylphenyl)-3-[2-[4-(4-pyridyl)butylamino]ethyl]-1H-indole-5-carboxylic acid Formula: C28H31N3O2 MolecularWeight: 441.56464

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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)CCNCCCCC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCNCCCCC4=CC=NC=C4)C

InChI

InChI=1S/C28H31N3O2/c1-19-15-20(2)17-23(16-19)27-24(25-18-22(28(32)33)6-7-26(25)31-27)10-14-29-11-4-3-5-21-8-12-30-13-9-21/h6-9,12-13,15-18,29,31H,3-5,10-11,14H2,1-2H3,(H,32,33)