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

Systemtic Name: 3-[3-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[3-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid CAS Name: 3-[3-[[2-carboxyoxy-3-(1-oxododecyl)-1H-indol-4-yl]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[(2-carboxyoxy-3-dodecanoyl-1H-indol-4-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[3-[(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(=CC=C3)CCC(=O)O)OC(=O)O

Isomeric SMILES

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

InChI

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