2-ethoxyethyl (4S,4aS)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4S,4aS)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S,4aS)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S,4aS)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C23H29NO6 MolecularWeight: 415.47946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC(=C(C=C3)O)OCC

Isomeric SMILES

CCOCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC(=C(C=C3)O)OCC

InChI

InChI=1S/C23H29NO6/c1-4-28-11-12-30-23(27)20-14(3)24-16-7-6-8-18(26)22(16)21(20)15-9-10-17(25)19(13-15)29-5-2/h7,9-10,13,20-22,25H,4-6,8,11-12H2,1-3H3/t20?,21-,22+/m1/s1