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

Systemtic Name: ethyl (E)-3-[(2S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)piperazin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(2S)-1-benzyl-4-(2-ethoxy-2-oxo-ethyl)piperazin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-4-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-2-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2S)-1-benzyl-4-(2-ethoxy-2-oxoethyl)piperazin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-1-benzyl-4-(2-ethoxy-2-keto-ethyl)piperazin-2-yl]acrylic acid ethyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C=CC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCN([C@H](C1)/C=C/C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/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/h5-11,18H,3-4,12-16H2,1-2H3/b11-10+/t18-/m0/s1