3-[4-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-carboxyoxy-3-(1-oxododecyl)-1H-indol-4-yl]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-carboxyoxy-3-lauroyl-1H-indol-4-yl)methyl]phenyl]propionic acid Formula: C31H39NO6 MolecularWeight: 521.64446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=C(C=C3)CCC(=O)O)OC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=C(C=C3)CCC(=O)O)OC(=O)O

InChI

InChI=1S/C31H39NO6/c1-2-3-4-5-6-7-8-9-10-14-26(33)29-28-24(12-11-13-25(28)32-30(29)38-31(36)37)21-23-17-15-22(16-18-23)19-20-27(34)35/h11-13,15-18,32H,2-10,14,19-21H2,1H3,(H,34,35)(H,36,37)