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

Systemtic Name: methyl 3-[2-(4-ethylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-ethylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-3-22-9-12-25(13-10-22)36-21-28(33)30-26-19-24(29(34)35-2)11-14-27(26)32-17-15-31(16-18-32)20-23-7-5-4-6-8-23/h4-14,19H,3,15-18,20-21H2,1-2H3,(H,30,33)