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3-[(octadecanoylamino)methyl]-1H-indole-2-carboxylic acid

3-[(octadecanoylamino)methyl]-1H-indole-2-carboxylic acid

Systemtic Name:3-[(octadecanoylamino)methyl]-1H-indole-2-carboxylic acid
Openeye Name:3-[(octadecanoylamino)methyl]-1H-indole-2-carboxylic acid
CAS Name:3-[(1-oxooctadecylamino)methyl]-1H-indole-2-carboxylic acid
IUPAC Name:3-[(octadecanoylamino)methyl]-1H-indole-2-carboxylic acid
Traditional Name:3-(stearamidomethyl)-1H-indole-2-carboxylic acid
Formula: C28H44N2O3
MolecularWeight: 456.66056
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC1=C(NC2=CC=CC=C21)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC1=C(NC2=CC=CC=C21)C(=O)O


InChI

InChI=1S/C28H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(31)29-22-24-23-19-17-18-20-25(23)30-27(24)28(32)33/h17-20,30H,2-16,21-22H2,1H3,(H,29,31)(H,32,33)


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