ethyl (4S)-2-azanyl-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[2-(cyanomethoxy)phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC#N)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=CC=C3OCC#N)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C22H24N2O5/c1-4-27-21(26)19-17(13-7-5-6-8-15(13)28-10-9-23)18-14(25)11-22(2,3)12-16(18)29-20(19)24/h5-8,17H,4,10-12,24H2,1-3H3/t17-/m0/s1