methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-bromo-4-methoxy-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-bromo-4-methoxybenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(3-bromo-4-methoxy-benzoyl)amino]benzoic acid methyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H24BrN3O5/c1-14(27)25-8-10-26(11-9-25)19-6-4-16(22(29)31-3)13-18(19)24-21(28)15-5-7-20(30-2)17(23)12-15/h4-7,12-13H,8-11H2,1-3H3,(H,24,28)