[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl] morpholine-4-carboxylate

Systemtic Name: [2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl] morpholine-4-carboxylate Openeye Name: [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)N4CCOCC4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)N4CCOCC4)C(=O)C1)C

InChI

InChI=1S/C23H25N3O5/c1-23(2)11-16(27)20-18(12-23)30-21(25)15(13-24)19(20)14-5-3-4-6-17(14)31-22(28)26-7-9-29-10-8-26/h3-6,19H,7-12,25H2,1-2H3