methyl 4-[[4-bromanyl-2-(phenylcarbonyloxy)phenyl]methyl-ethyl-amino]benzoate

Systemtic Name: methyl 4-[[4-bromanyl-2-(phenylcarbonyloxy)phenyl]methyl-ethyl-amino]benzoate Openeye Name: methyl 4-[(2-benzoyloxy-4-bromo-phenyl)methyl-ethyl-amino]benzoate CAS Name: 4-[(2-benzoyloxy-4-bromophenyl)methyl-ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzoyloxy-4-bromophenyl)methyl-ethylamino]benzoate Traditional Name: 4-[(2-benzoyloxy-4-bromo-benzyl)-ethyl-amino]benzoic acid methyl ester Formula: C24H22BrNO4 MolecularWeight: 468.33978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C(C=C1)Br)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=C(C=C1)Br)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H22BrNO4/c1-3-26(21-13-10-18(11-14-21)23(27)29-2)16-19-9-12-20(25)15-22(19)30-24(28)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3