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

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-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(=CC(=C3OC)C)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

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