methyl 3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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