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

Systemtic Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C20H18N2O5/c1-3-27-18-11-13(4-9-17(18)26-2)10-15(12-21)19(23)22-16-7-5-14(6-8-16)20(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/b15-10+