ethyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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