2-[[4-[2-(2-carboxy-3-dodecanoyl-indol-1-yl)ethoxy]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[2-(2-carboxy-3-dodecanoyl-indol-1-yl)ethoxy]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[2-(2-carboxy-3-dodecanoyl-indol-1-yl)ethoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[2-[2-carboxy-3-(1-oxododecyl)-1-indolyl]ethoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[2-(2-carboxy-3-dodecanoylindol-1-yl)ethoxy]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[2-(2-carboxy-3-lauroyl-indol-1-yl)ethoxy]benzyl]malonic acid Formula: C33H41NO8 MolecularWeight: 579.68054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C33H41NO8/c1-2-3-4-5-6-7-8-9-10-15-28(35)29-25-13-11-12-14-27(25)34(30(29)33(40)41)20-21-42-24-18-16-23(17-19-24)22-26(31(36)37)32(38)39/h11-14,16-19,26H,2-10,15,20-22H2,1H3,(H,36,37)(H,38,39)(H,40,41)