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

Systemtic Name: methyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O5/c1-20-7-6-10-23(17-20)36-19-26(32)29-24-18-22(28(34)35-2)11-12-25(24)30-13-15-31(16-14-30)27(33)21-8-4-3-5-9-21/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,32)