(phenylmethyl) 2-azanyl-5-[5-cyano-2-[2-(phenylcarbonyl)prop-2-enoyloxy]phenoxy]pentanoate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[5-cyano-2-[2-(phenylcarbonyl)prop-2-enoyloxy]phenoxy]pentanoate Openeye Name: benzyl 2-amino-5-[2-(2-benzoylprop-2-enoyloxy)-5-cyano-phenoxy]pentanoate CAS Name: 2-amino-5-[2-(2-benzoyl-1-oxoprop-2-enoxy)-5-cyanophenoxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-5-[2-(2-benzoylprop-2-enoyloxy)-5-cyanophenoxy]pentanoate Traditional Name: 2-amino-5-[2-(2-benzoylacryloyl)oxy-5-cyano-phenoxy]valeric acid benzyl ester Formula: C29H26N2O6 MolecularWeight: 498.52654

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)C1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2)C#N)OCCCC(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C=C(C(=O)C1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2)C#N)OCCCC(C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H26N2O6/c1-20(27(32)23-11-6-3-7-12-23)28(33)37-25-15-14-22(18-30)17-26(25)35-16-8-13-24(31)29(34)36-19-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,24H,1,8,13,16,19,31H2