methyl 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(3-bromo-4-ethoxy-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4-ethoxybenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-bromo-4-ethoxy-benzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OCC)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OCC)Br

InChI

InChI=1S/C23H28BrN3O4/c1-4-26-10-12-27(13-11-26)20-8-6-17(23(29)30-3)15-19(20)25-22(28)16-7-9-21(31-5-2)18(24)14-16/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,25,28)