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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCCCC(C(=O)OC)C(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCCCC(C(=O)OC)C(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-18-20-12-7-8-14-22(20)27(23(18)19-11-10-15-26-17-19)16-9-5-4-6-13-21(24(28)30-2)25(29)31-3/h7-8,10-12,14-15,17,21H,4-6,9,13,16H2,1-3H3