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

Systemtic Name: 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Openeye Name: 1-[3-(1-piperidyl)propyl]-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid CAS Name: 1-[3-(1-piperidinyl)propyl]-3-[5-(3-thiophenyl)-3-pyridinyl]-4-indolecarboxylic acid IUPAC Name: 1-(3-piperidin-1-ylpropyl)-3-(5-thiophen-3-ylpyridin-3-yl)indole-4-carboxylic acid Traditional Name: 1-(3-piperidinopropyl)-3-[5-(3-thienyl)-3-pyridyl]indole-4-carboxylic acid Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C26H27N3O2S/c30-26(31)22-6-4-7-24-25(22)23(17-29(24)12-5-11-28-9-2-1-3-10-28)21-14-20(15-27-16-21)19-8-13-32-18-19/h4,6-8,13-18H,1-3,5,9-12H2,(H,30,31)