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

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoate CAS Name: 3-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]benzoic acid methyl ester Formula: C28H30BrN3O4 MolecularWeight: 552.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H30BrN3O4/c1-19-15-22(29)17-23(26(19)35-2)27(33)30-24-16-21(28(34)36-3)9-10-25(24)32-13-11-31(12-14-32)18-20-7-5-4-6-8-20/h4-10,15-17H,11-14,18H2,1-3H3,(H,30,33)