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2-[6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hexyl]propanedioic acid

2-[6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hexyl]propanedioic acid

Systemtic Name:2-[6-(3-methyl-2-pyridin-3-yl-indol-1-yl)hexyl]propanedioic acid
Openeye Name:2-[6-[3-methyl-2-(3-pyridyl)indol-1-yl]hexyl]propanedioic acid
CAS Name:2-[6-[3-methyl-2-(3-pyridinyl)-1-indolyl]hexyl]propanedioic acid
IUPAC Name:2-[6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexyl]propanedioic acid
Traditional Name:2-[6-[3-methyl-2-(3-pyridyl)indol-1-yl]hexyl]malonic acid
Formula: C23H26N2O4
MolecularWeight: 394.46354
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H26N2O4/c1-16-18-10-5-6-12-20(18)25(21(16)17-9-8-13-24-15-17)14-7-3-2-4-11-19(22(26)27)23(28)29/h5-6,8-10,12-13,15,19H,2-4,7,11,14H2,1H3,(H,26,27)(H,28,29)


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