ethyl (4S)-2-azanyl-4-[4-(diethylamino)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-[4-(diethylamino)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[4-(diethylamino)phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@H]2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C22H28N2O4/c1-4-24(5-2)15-12-10-14(11-13-15)18-19-16(25)8-7-9-17(19)28-21(23)20(18)22(26)27-6-3/h10-13,18H,4-9,23H2,1-3H3/t18-/m0/s1