tert-butyl 3-bromanyl-4-fluoranyl-2-hexadecyl-5-methoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-4-fluoranyl-2-hexadecyl-5-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-bromo-4-fluoro-2-hexadecyl-5-methoxy-indole-1-carboxylate CAS Name: 3-bromo-4-fluoro-2-hexadecyl-5-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-4-fluoro-2-hexadecyl-5-methoxyindole-1-carboxylate Traditional Name: 3-bromo-2-cetyl-4-fluoro-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C30H47BrFNO3 MolecularWeight: 568.601483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2F)OC)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2F)OC)Br

InChI

InChI=1S/C30H47BrFNO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(31)26-23(21-22-25(35-5)28(26)32)33(24)29(34)36-30(2,3)4/h21-22H,6-20H2,1-5H3