methyl 8-bromanyl-2-butyl-3-(phenylmethoxyamino)octanoate

Systemtic Name: methyl 8-bromanyl-2-butyl-3-(phenylmethoxyamino)octanoate Openeye Name: methyl 3-(benzyloxyamino)-8-bromo-2-butyl-octanoate CAS Name: 8-bromo-2-butyl-3-(phenylmethoxyamino)octanoic acid methyl ester IUPAC Name: methyl 8-bromo-2-butyl-3-(phenylmethoxyamino)octanoate Traditional Name: 3-(benzoxyamino)-8-bromo-2-butyl-caprylic acid methyl ester Formula: C20H32BrNO3 MolecularWeight: 414.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCCCBr)NOCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCC(C(CCCCCBr)NOCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C20H32BrNO3/c1-3-4-13-18(20(23)24-2)19(14-9-6-10-15-21)22-25-16-17-11-7-5-8-12-17/h5,7-8,11-12,18-19,22H,3-4,6,9-10,13-16H2,1-2H3