ethyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromo-2-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoic acid ethyl ester Formula: C23H26BrN3O5 MolecularWeight: 504.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H26BrN3O5/c1-4-32-23(30)16-5-7-20(27-11-9-26(10-12-27)15(2)28)19(13-16)25-22(29)18-14-17(24)6-8-21(18)31-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,29)