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

Systemtic Name: 3-methylbutyl 2-[1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(=CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-15(2)9-12-30-20(27)14-19-21(28)23-10-11-25(19)22(29)18(24-16(3)26)13-17-7-5-4-6-8-17/h4-8,13,15,19H,9-12,14H2,1-3H3,(H,23,28)(H,24,26)/b18-13+