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

Systemtic Name: ethyl (4S)-2-azanyl-7,7-dimethyl-4-(3-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-7,7-dimethyl-4-(m-tolyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-7,7-dimethyl-4-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-7,7-dimethyl-4-(m-tolyl)-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)C)C(=O)CC(C2)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-5-25-20(24)18-16(13-8-6-7-12(2)9-13)17-14(23)10-21(3,4)11-15(17)26-19(18)22/h6-9,16H,5,10-11,22H2,1-4H3/t16-/m0/s1