ethyl 3-bromanyl-4-(hexadecylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(hexadecylamino)benzoate Openeye Name: ethyl 3-bromo-4-(hexadecylamino)benzoate CAS Name: 3-bromo-4-(hexadecylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(hexadecylamino)benzoate Traditional Name: 3-bromo-4-(cetylamino)benzoic acid ethyl ester Formula: C25H42BrNO2 MolecularWeight: 468.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCC)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCC)Br

InChI

InChI=1S/C25H42BrNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-19-18-22(21-23(24)26)25(28)29-4-2/h18-19,21,27H,3-17,20H2,1-2H3