methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O5/c1-31(2,3)24-11-13-25(14-12-24)39-21-28(35)32-26-20-23(30(37)38-4)10-15-27(26)33-16-18-34(19-17-33)29(36)22-8-6-5-7-9-22/h5-15,20H,16-19,21H2,1-4H3,(H,32,35)