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

Systemtic Name: ethyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoic acid ethyl ester Formula: C29H30BrN3O5 MolecularWeight: 580.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C29H30BrN3O5/c1-4-38-29(36)21-10-11-25(32-12-14-33(15-13-32)28(35)20-8-6-5-7-9-20)24(17-21)31-27(34)23-18-22(30)16-19(2)26(23)37-3/h5-11,16-18H,4,12-15H2,1-3H3,(H,31,34)