[4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]phenyl] butanoate

Systemtic Name: [4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]phenyl] butanoate Openeye Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] butanoate CAS Name: butanoic acid [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]phenyl] ester IUPAC Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] butanoate Traditional Name: butyric acid [4-[(4R)-2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl]phenyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C20H20N2O4/c1-2-4-17(24)25-13-9-7-12(8-10-13)18-14(11-21)20(22)26-16-6-3-5-15(23)19(16)18/h7-10,18H,2-6,22H2,1H3/t18-/m1/s1