ethyl (4S)-2-azanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-p-cumenyl-4,6,7,8-tetrahydrochromene-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=C(C=C3)C(C)C)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=C(C=C3)C(C)C)C(=O)CCC2)N

InChI

InChI=1S/C21H25NO4/c1-4-25-21(24)19-17(14-10-8-13(9-11-14)12(2)3)18-15(23)6-5-7-16(18)26-20(19)22/h8-12,17H,4-7,22H2,1-3H3/t17-/m0/s1