[cyano-(3-phenoxyphenyl)methyl] (E)-4-phenyl-2-propan-2-yl-but-3-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] (E)-4-phenyl-2-propan-2-yl-but-3-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] (E)-2-isopropyl-4-phenyl-but-3-enoate CAS Name: (E)-4-phenyl-2-propan-2-yl-3-butenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] (E)-4-phenyl-2-propan-2-ylbut-3-enoate Traditional Name: (E)-2-isopropyl-4-phenyl-but-3-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC1=CC=CC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(/C=C/C1=CC=CC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H25NO3/c1-20(2)25(17-16-21-10-5-3-6-11-21)27(29)31-26(19-28)22-12-9-15-24(18-22)30-23-13-7-4-8-14-23/h3-18,20,25-26H,1-2H3/b17-16+