ethyl 3-bromanyl-4-(heptylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(heptylamino)benzoate Openeye Name: ethyl 3-bromo-4-(heptylamino)benzoate CAS Name: 3-bromo-4-(heptylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(heptylamino)benzoate Traditional Name: 3-bromo-4-(heptylamino)benzoic acid ethyl ester Formula: C16H24BrNO2 MolecularWeight: 342.27126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=C(C=C1)C(=O)OCC)Br

Isomeric SMILES

CCCCCCCNC1=C(C=C(C=C1)C(=O)OCC)Br

InChI

InChI=1S/C16H24BrNO2/c1-3-5-6-7-8-11-18-15-10-9-13(12-14(15)17)16(19)20-4-2/h9-10,12,18H,3-8,11H2,1-2H3