[5-bromanyl-2-(ethylaminomethyl)phenyl] benzoate; methyl benzoate

Systemtic Name: [5-bromanyl-2-(ethylaminomethyl)phenyl] benzoate; methyl benzoate Openeye Name: [5-bromo-2-(ethylaminomethyl)phenyl] benzoate; methyl benzoate CAS Name: benzoic acid [5-bromo-2-(ethylaminomethyl)phenyl] ester; benzoic acid methyl ester IUPAC Name: [5-bromo-2-(ethylaminomethyl)phenyl] benzoate; methyl benzoate Traditional Name: benzoic acid [5-bromo-2-(ethylaminomethyl)phenyl] ester; benzoic acid methyl ester Formula: C24H24BrNO4 MolecularWeight: 470.35566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=C(C=C1)Br)OC(=O)C2=CC=CC=C2.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNCC1=C(C=C(C=C1)Br)OC(=O)C2=CC=CC=C2.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H16BrNO2.C8H8O2/c1-2-18-11-13-8-9-14(17)10-15(13)20-16(19)12-6-4-3-5-7-12;1-10-8(9)7-5-3-2-4-6-7/h3-10,18H,2,11H2,1H3;2-6H,1H3