ethyl 3-[(2S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)piperazin-2-yl]propanoate

Systemtic Name: ethyl 3-[(2S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)piperazin-2-yl]propanoate Openeye Name: ethyl 3-[(2S)-1-benzyl-4-(2-ethoxy-2-oxo-ethyl)piperazin-2-yl]propanoate CAS Name: 3-[(2S)-4-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-2-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-1-benzyl-4-(2-ethoxy-2-oxoethyl)piperazin-2-yl]propanoate Traditional Name: 3-[(2S)-1-benzyl-4-(2-ethoxy-2-keto-ethyl)piperazin-2-yl]propionic acid ethyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CN(CCN1CC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC[C@H]1CN(CCN1CC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C20H30N2O4/c1-3-25-19(23)11-10-18-15-21(16-20(24)26-4-2)12-13-22(18)14-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3/t18-/m0/s1