tert-butyl 3-(2-methyl-1H-indol-3-yl)octanoate

Systemtic Name: tert-butyl 3-(2-methyl-1H-indol-3-yl)octanoate Openeye Name: tert-butyl 3-(2-methyl-1H-indol-3-yl)octanoate CAS Name: 3-(2-methyl-1H-indol-3-yl)octanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methyl-1H-indol-3-yl)octanoate Traditional Name: 3-(2-methyl-1H-indol-3-yl)caprylic acid tert-butyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC(C)(C)C)C1=C(NC2=CC=CC=C21)C

Isomeric SMILES

CCCCCC(CC(=O)OC(C)(C)C)C1=C(NC2=CC=CC=C21)C

InChI

InChI=1S/C21H31NO2/c1-6-7-8-11-16(14-19(23)24-21(3,4)5)20-15(2)22-18-13-10-9-12-17(18)20/h9-10,12-13,16,22H,6-8,11,14H2,1-5H3