ethyl 1-methyl-3-octadecanoyl-indole-2-carboxylate

Systemtic Name: ethyl 1-methyl-3-octadecanoyl-indole-2-carboxylate Openeye Name: ethyl 1-methyl-3-octadecanoyl-indole-2-carboxylate CAS Name: 1-methyl-3-(1-oxooctadecyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-octadecanoylindole-2-carboxylate Traditional Name: 1-methyl-3-stearoyl-indole-2-carboxylic acid ethyl ester Formula: C30H47NO3 MolecularWeight: 469.69908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)C(=O)OCC

InChI

InChI=1S/C30H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27(32)28-25-22-20-21-23-26(25)31(3)29(28)30(33)34-5-2/h20-23H,4-19,24H2,1-3H3