(phenylmethyl) 2-[(2R)-1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2R)-1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[(2R)-1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(E)-2-acetamido-1-oxo-3-phenylprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R)-1-[(E)-2-acetamido-3-phenylprop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-[(E)-2-acetamido-3-phenyl-acryloyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5/c1-17(28)26-20(14-18-8-4-2-5-9-18)24(31)27-13-12-25-23(30)21(27)15-22(29)32-16-19-10-6-3-7-11-19/h2-11,14,21H,12-13,15-16H2,1H3,(H,25,30)(H,26,28)/b20-14+/t21-/m1/s1