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

Systemtic Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C21H20N2O5/c1-3-10-28-18-9-4-14(12-19(18)27-2)11-16(13-22)20(24)23-17-7-5-15(6-8-17)21(25)26/h4-9,11-12H,3,10H2,1-2H3,(H,23,24)(H,25,26)/b16-11+