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

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-[2-(4-propan-2-ylphenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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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)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O4/c1-22(2)24-9-12-26(13-10-24)37-21-29(34)31-27-19-25(30(35)36-3)11-14-28(27)33-17-15-32(16-18-33)20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,31,34)