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

Systemtic Name: methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C31H37N3O4/c1-31(2,3)25-11-13-26(14-12-25)38-22-29(35)32-27-20-24(30(36)37-4)10-15-28(27)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-15,20H,16-19,21-22H2,1-4H3,(H,32,35)