(phenylmethyl) (E)-6-[(3,4-dimethylphenyl)carbonylamino]-2-(4-phenylmethoxyphenyl)hex-2-enoate

Systemtic Name: (phenylmethyl) (E)-6-[(3,4-dimethylphenyl)carbonylamino]-2-(4-phenylmethoxyphenyl)hex-2-enoate Openeye Name: benzyl (E)-2-(4-benzyloxyphenyl)-6-[(3,4-dimethylbenzoyl)amino]hex-2-enoate CAS Name: (E)-6-[[(3,4-dimethylphenyl)-oxomethyl]amino]-2-(4-phenylmethoxyphenyl)-2-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-6-[(3,4-dimethylbenzoyl)amino]-2-(4-phenylmethoxyphenyl)hex-2-enoate Traditional Name: (E)-2-(4-benzoxyphenyl)-6-[(3,4-dimethylbenzoyl)amino]hex-2-enoic acid benzyl ester Formula: C35H35NO4 MolecularWeight: 533.6567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCC=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC/C=C(\C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C35H35NO4/c1-26-16-17-31(23-27(26)2)34(37)36-22-10-9-15-33(35(38)40-25-29-13-7-4-8-14-29)30-18-20-32(21-19-30)39-24-28-11-5-3-6-12-28/h3-8,11-21,23H,9-10,22,24-25H2,1-2H3,(H,36,37)/b33-15+