ethyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H37N3O5/c1-5-39-31(38)24-11-16-28(34-17-19-35(20-18-34)30(37)23-9-7-6-8-10-23)27(21-24)33-29(36)22-40-26-14-12-25(13-15-26)32(2,3)4/h6-16,21H,5,17-20,22H2,1-4H3,(H,33,36)