ethyl 3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(2-isopropyl-5-methyl-phenoxy)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=C(C=CC(=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=C(C=CC(=C4)C)C(C)C

InChI

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