dimethyl 2-[6-(1-methyl-2-pyridin-3-yl-indol-3-yl)hexyl]propanedioate

Systemtic Name: dimethyl 2-[6-(1-methyl-2-pyridin-3-yl-indol-3-yl)hexyl]propanedioate Openeye Name: dimethyl 2-[6-[1-methyl-2-(3-pyridyl)indol-3-yl]hexyl]propanedioate CAS Name: 2-[6-[1-methyl-2-(3-pyridinyl)-3-indolyl]hexyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-(1-methyl-2-pyridin-3-ylindol-3-yl)hexyl]propanedioate Traditional Name: 2-[6-[1-methyl-2-(3-pyridyl)indol-3-yl]hexyl]malonic acid dimethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CN=CC=C3)CCCCCCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CN=CC=C3)CCCCCCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H30N2O4/c1-27-22-15-9-8-12-19(22)20(23(27)18-11-10-16-26-17-18)13-6-4-5-7-14-21(24(28)30-2)25(29)31-3/h8-12,15-17,21H,4-7,13-14H2,1-3H3