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

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[2-(4-propan-2-ylphenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C30H33N3O5/c1-21(2)22-9-12-25(13-10-22)38-20-28(34)31-26-19-24(30(36)37-3)11-14-27(26)32-15-17-33(18-16-32)29(35)23-7-5-4-6-8-23/h4-14,19,21H,15-18,20H2,1-3H3,(H,31,34)