methyl 4-bromanyl-3-[[(phenylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-bromanyl-3-[[(phenylmethyl)amino]methyl]benzoate Openeye Name: methyl 3-[(benzylamino)methyl]-4-bromo-benzoate CAS Name: 4-bromo-3-[[(phenylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-4-bromobenzoate Traditional Name: 3-[(benzylamino)methyl]-4-bromo-benzoic acid methyl ester Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Br)CNCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Br)CNCC2=CC=CC=C2

InChI

InChI=1S/C16H16BrNO2/c1-20-16(19)13-7-8-15(17)14(9-13)11-18-10-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3