1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid

Systemtic Name: 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Openeye Name: 1-[2-(1-piperidyl)ethyl]-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid CAS Name: 1-[2-(1-piperidinyl)ethyl]-3-[5-(3-thiophenyl)-3-pyridinyl]-4-indolecarboxylic acid IUPAC Name: 1-(2-piperidin-1-ylethyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Traditional Name: 1-(2-piperidinoethyl)-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CCN(CC1)CCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H25N3O2S/c29-25(30)21-5-4-6-23-24(21)22(16-28(23)11-10-27-8-2-1-3-9-27)20-13-19(14-26-15-20)18-7-12-31-17-18/h4-7,12-17H,1-3,8-11H2,(H,29,30)