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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] butanoate CAS Name: butanoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] butanoate Traditional Name: butyric acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCCOC)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCOC)OC

InChI

InChI=1S/C18H22N2O5/c1-4-5-17(21)25-15-7-6-13(11-16(15)24-3)10-14(12-19)18(22)20-8-9-23-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,22)/b14-10+