[4-[(4S)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]phenyl] morpholine-4-carboxylate

Systemtic Name: [4-[(4S)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]phenyl] morpholine-4-carboxylate Openeye Name: [4-[(4S)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [4-[(4S)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]phenyl] ester IUPAC Name: [4-[(4S)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [4-[(4S)-2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl]phenyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)C1

InChI

InChI=1S/C21H21N3O5/c22-12-15-18(19-16(25)2-1-3-17(19)29-20(15)23)13-4-6-14(7-5-13)28-21(26)24-8-10-27-11-9-24/h4-7,18H,1-3,8-11,23H2/t18-/m0/s1