ethyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-bromophenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C28H30BrN3O4 MolecularWeight: 552.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C28H30BrN3O4/c1-2-35-28(34)22-8-13-26(32-16-14-31(15-17-32)19-21-6-4-3-5-7-21)25(18-22)30-27(33)20-36-24-11-9-23(29)10-12-24/h3-13,18H,2,14-17,19-20H2,1H3,(H,30,33)