2-(3,5-dimethylphenyl)-3-[2-[(5-pyridin-3-ylthiophen-2-yl)methylamino]ethyl]-1H-indole-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylphenyl)-3-[2-[(5-pyridin-3-ylthiophen-2-yl)methylamino]ethyl]-1H-indole-5-carboxylic acid Openeye Name: 2-(3,5-dimethylphenyl)-3-[2-[[5-(3-pyridyl)-2-thienyl]methylamino]ethyl]-1H-indole-5-carboxylic acid CAS Name: 2-(3,5-dimethylphenyl)-3-[2-[[5-(3-pyridinyl)-2-thiophenyl]methylamino]ethyl]-1H-indole-5-carboxylic acid IUPAC Name: 2-(3,5-dimethylphenyl)-3-[2-[(5-pyridin-3-ylthiophen-2-yl)methylamino]ethyl]-1H-indole-5-carboxylic acid Traditional Name: 2-(3,5-dimethylphenyl)-3-[2-[[5-(3-pyridyl)-2-thienyl]methylamino]ethyl]-1H-indole-5-carboxylic acid Formula: C29H27N3O2S MolecularWeight: 481.60858

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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)CCNCC4=CC=C(S4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCNCC4=CC=C(S4)C5=CN=CC=C5)C

InChI

InChI=1S/C29H27N3O2S/c1-18-12-19(2)14-22(13-18)28-24(25-15-20(29(33)34)5-7-26(25)32-28)9-11-31-17-23-6-8-27(35-23)21-4-3-10-30-16-21/h3-8,10,12-16,31-32H,9,11,17H2,1-2H3,(H,33,34)