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

Systemtic Name: ethyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[2-(4-propan-2-ylphenoxy)ethanoylamino]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[[2-(4-isopropylphenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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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

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

InChI

InChI=1S/C31H35N3O5/c1-4-38-31(37)25-12-15-28(33-16-18-34(19-17-33)30(36)24-8-6-5-7-9-24)27(20-25)32-29(35)21-39-26-13-10-23(11-14-26)22(2)3/h5-15,20,22H,4,16-19,21H2,1-3H3,(H,32,35)