[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3O2)OC)/C#N

InChI

InChI=1S/C23H20N2O5/c1-3-10-25-22(26)17(14-24)11-15-8-9-19(20(12-15)28-2)30-23(27)21-13-16-6-4-5-7-18(16)29-21/h4-9,11-13H,3,10H2,1-2H3,(H,25,26)/b17-11+