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

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoate CAS Name: 3-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-bromo-2-methoxy-benzoyl)amino]benzoic acid methyl ester Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O4/c1-34-25-11-9-21(28)17-22(25)26(32)29-23-16-20(27(33)35-2)8-10-24(23)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,32)