methyl 2-oxidanyl-3-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzoate

Systemtic Name: methyl 2-oxidanyl-3-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzoate Openeye Name: methyl 3-[(1R)-3-(4-benzylpiperazin-1-yl)-3-oxo-1-phenyl-propyl]-2-hydroxy-benzoate CAS Name: 2-hydroxy-3-[(1R)-3-oxo-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1R)-3-(4-benzylpiperazin-1-yl)-3-oxo-1-phenylpropyl]-2-hydroxybenzoate Traditional Name: 3-[(1R)-3-(4-benzylpiperazino)-3-keto-1-phenyl-propyl]-2-hydroxy-benzoic acid methyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[C@H](CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O4/c1-34-28(33)24-14-8-13-23(27(24)32)25(22-11-6-3-7-12-22)19-26(31)30-17-15-29(16-18-30)20-21-9-4-2-5-10-21/h2-14,25,32H,15-20H2,1H3/t25-/m1/s1