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

Systemtic Name: dodecyl 2-[1-[(E)-2-acetamido-3-phenyl-prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C29H43N3O5 MolecularWeight: 513.66882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43N3O5/c1-3-4-5-6-7-8-9-10-11-15-20-37-27(34)22-26-28(35)30-18-19-32(26)29(36)25(31-23(2)33)21-24-16-13-12-14-17-24/h12-14,16-17,21,26H,3-11,15,18-20,22H2,1-2H3,(H,30,35)(H,31,33)/b25-21+