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4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid

4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name:4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid
Openeye Name:4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid
CAS Name:4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid
IUPAC Name:4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid
Traditional Name:4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid
Formula: C24H28N2O3
MolecularWeight: 392.49072
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C24H28N2O3/c1-3-5-6-18(4-2)23(27)25-21-12-11-19-13-14-26(22(19)15-21)16-17-7-9-20(10-8-17)24(28)29/h7-15,18H,3-6,16H2,1-2H3,(H,25,27)(H,28,29)


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