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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)N4CCOCC4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)N4CCOCC4)C(=O)C1

InChI

InChI=1S/C21H21N3O5/c22-12-14-18(19-15(25)5-3-7-17(19)28-20(14)23)13-4-1-2-6-16(13)29-21(26)24-8-10-27-11-9-24/h1-2,4,6,18H,3,5,7-11,23H2/t18-/m0/s1