1-phenylbutyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 1-phenylbutyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: 1-phenylbutyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyano-2-propenoic acid 1-phenylbutyl ester IUPAC Name: 1-phenylbutyl (E)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dicarbethoxyoxyphenyl)acrylic acid 1-phenylbutyl ester Formula: C26H27NO8 MolecularWeight: 481.49448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC(=O)C(=CC2=CC(=C(C=C2)OC(=O)OCC)OC(=O)OCC)C#N

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)OCC)OC(=O)OCC)/C#N

InChI

InChI=1S/C26H27NO8/c1-4-10-21(19-11-8-7-9-12-19)33-24(28)20(17-27)15-18-13-14-22(34-25(29)31-5-2)23(16-18)35-26(30)32-6-3/h7-9,11-16,21H,4-6,10H2,1-3H3/b20-15+