3-[[2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(2-cyanobenzyl)oxy-3-ethoxy-phenyl]acryloyl]amino]benzoic acid Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C27H21N3O5/c1-2-34-25-13-18(10-11-24(25)35-17-21-7-4-3-6-20(21)15-28)12-22(16-29)26(31)30-23-9-5-8-19(14-23)27(32)33/h3-14H,2,17H2,1H3,(H,30,31)(H,32,33)