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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] pentanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] pentanoate Traditional Name: valeric acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C18H22N2O4/c1-3-4-5-17(21)24-16-8-6-14(7-9-16)12-15(13-19)18(22)20-10-11-23-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,22)/b15-12+