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

Systemtic Name: methyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-21-7-6-10-24(17-21)35-20-27(32)29-25-18-23(28(33)34-2)11-12-26(25)31-15-13-30(14-16-31)19-22-8-4-3-5-9-22/h3-12,17-18H,13-16,19-20H2,1-2H3,(H,29,32)