methyl 3-octadecyl-1H-indole-6-carboxylate

Systemtic Name: methyl 3-octadecyl-1H-indole-6-carboxylate Openeye Name: methyl 3-octadecyl-1H-indole-6-carboxylate CAS Name: 3-octadecyl-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-octadecyl-1H-indole-6-carboxylate Traditional Name: 3-stearyl-1H-indole-6-carboxylic acid methyl ester Formula: C28H45NO2 MolecularWeight: 427.6624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CNC2=C1C=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CNC2=C1C=CC(=C2)C(=O)OC

InChI

InChI=1S/C28H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-23-29-27-22-24(28(30)31-2)20-21-26(25)27/h20-23,29H,3-19H2,1-2H3