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

Systemtic Name: ethyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoic acid ethyl ester Formula: C28H28BrN3O5 MolecularWeight: 566.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C28H28BrN3O5/c1-3-37-28(35)20-9-11-24(23(17-20)30-26(33)22-18-21(29)10-12-25(22)36-2)31-13-15-32(16-14-31)27(34)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,30,33)