ethyl 4-(3-chloranyl-4-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-4-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-chloro-4-ethoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-chloro-4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-ethoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)Cl

InChI

InChI=1S/C23H28ClNO4/c1-6-28-18-9-8-14(10-15(18)24)20-19(22(27)29-7-2)13(3)25-16-11-23(4,5)12-17(26)21(16)20/h8-10,20,25H,6-7,11-12H2,1-5H3