1-methyl-3-(pyridin-3-ylmethyl)indole-2-carboxylic acid; tributyltin

Systemtic Name: 1-methyl-3-(pyridin-3-ylmethyl)indole-2-carboxylic acid; tributyltin Openeye Name: 1-methyl-3-(3-pyridylmethyl)indole-2-carboxylic acid; tributyltin CAS Name: 1-methyl-3-(3-pyridinylmethyl)-2-indolecarboxylic acid; tributyltin IUPAC Name: 1-methyl-3-(pyridin-3-ylmethyl)indole-2-carboxylic acid; tributyltin Traditional Name: 1-methyl-3-(3-pyridylmethyl)indole-2-carboxylic acid; tributyltin Formula: C28H41N2O2Sn MolecularWeight: 556.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)CCCC.CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CCCC[Sn](CCCC)CCCC.CN1C2=CC=CC=C2C(=C1C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H14N2O2.3C4H9.Sn/c1-18-14-7-3-2-6-12(14)13(15(18)16(19)20)9-11-5-4-8-17-10-11;3*1-3-4-2;/h2-8,10H,9H2,1H3,(H,19,20);3*1,3-4H2,2H3;