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

Systemtic Name: ethyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoic acid ethyl ester Formula: C24H28BrN3O5 MolecularWeight: 518.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC(=CC(=C3OC)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

InChI=1S/C24H28BrN3O5/c1-5-33-24(31)17-6-7-21(28-10-8-27(9-11-28)16(3)29)20(13-17)26-23(30)19-14-18(25)12-15(2)22(19)32-4/h6-7,12-14H,5,8-11H2,1-4H3,(H,26,30)