[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate Traditional Name: valeric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC

InChI

InChI=1S/C21H22N2O5/c1-3-4-7-20(24)28-18-9-8-15(12-19(18)26-2)11-16(13-22)21(25)23-14-17-6-5-10-27-17/h5-6,8-12H,3-4,7,14H2,1-2H3,(H,23,25)/b16-11+