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

Systemtic Name: decyl 2-[1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O5/c1-3-4-5-6-7-8-9-13-18-35-25(32)20-24-26(33)28-16-17-30(24)27(34)23(29-21(2)31)19-22-14-11-10-12-15-22/h10-12,14-15,19,24H,3-9,13,16-18,20H2,1-2H3,(H,28,33)(H,29,31)/b23-19+