4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acryloyl]amino]benzoate Formula: C22H19N2O5- MolecularWeight: 391.39666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C22H20N2O5/c1-3-28-19-10-15-8-13(2)29-20(15)11-16(19)9-17(12-23)21(25)24-18-6-4-14(5-7-18)22(26)27/h4-7,9-11,13H,3,8H2,1-2H3,(H,24,25)(H,26,27)/p-1/b17-9+/t13-/m0/s1