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

Systemtic Name: methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4/c1-4-25-9-11-26(12-10-25)19-7-5-16(22(28)30-3)14-18(19)24-21(27)15-6-8-20(29-2)17(23)13-15/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,27)