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

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H28BrN3O5 MolecularWeight: 566.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

InChI

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