(phenylmethyl) 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoate Openeye Name: benzyl 4-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-1-oxoprop-2-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-acryloyl]amino]butyric acid benzyl ester Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NCCCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C(\C(=O)NCCCC(=O)OCC2=CC=CC=C2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H28N2O6/c1-21(32)37-25-16-14-22(15-17-25)19-26(31-28(34)24-11-6-3-7-12-24)29(35)30-18-8-13-27(33)36-20-23-9-4-2-5-10-23/h2-7,9-12,14-17,19H,8,13,18,20H2,1H3,(H,30,35)(H,31,34)/b26-19+