methyl 4-[2-cyanoprop-2-enoyl(phenyl)amino]-3-phenylmethoxy-benzoate

Systemtic Name: methyl 4-[2-cyanoprop-2-enoyl(phenyl)amino]-3-phenylmethoxy-benzoate Openeye Name: methyl 3-benzyloxy-4-[N-(2-cyanoprop-2-enoyl)anilino]benzoate CAS Name: 4-(N-(2-cyano-1-oxoprop-2-enyl)anilino)-3-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-[N-(2-cyanoprop-2-enoyl)anilino]-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-(N-(2-cyanoacryloyl)anilino)benzoic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c1-18(16-26)24(28)27(21-11-7-4-8-12-21)22-14-13-20(25(29)30-2)15-23(22)31-17-19-9-5-3-6-10-19/h3-15H,1,17H2,2H3