[(2S)-1,4-bis(phenylmethyl)piperazin-2-yl]methyl 2-ethylbutanoate

Systemtic Name: [(2S)-1,4-bis(phenylmethyl)piperazin-2-yl]methyl 2-ethylbutanoate Openeye Name: [(2S)-1,4-dibenzylpiperazin-2-yl]methyl 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [(2S)-1,4-bis(phenylmethyl)-2-piperazinyl]methyl ester IUPAC Name: [(2S)-1,4-dibenzylpiperazin-2-yl]methyl 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [(2S)-1,4-dibenzylpiperazin-2-yl]methyl ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)OC[C@@H]1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-3-23(4-2)25(28)29-20-24-19-26(17-21-11-7-5-8-12-21)15-16-27(24)18-22-13-9-6-10-14-22/h5-14,23-24H,3-4,15-20H2,1-2H3/t24-/m0/s1