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

Systemtic Name: butan-2-yl 2-[1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-2-acetamido-1-oxo-3-phenylprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[(E)-2-acetamido-3-phenylprop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-2-acetamido-3-phenyl-acryloyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C(=CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C

InChI

InChI=1S/C21H27N3O5/c1-4-14(2)29-19(26)13-18-20(27)22-10-11-24(18)21(28)17(23-15(3)25)12-16-8-6-5-7-9-16/h5-9,12,14,18H,4,10-11,13H2,1-3H3,(H,22,27)(H,23,25)/b17-12+