ethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C(=C3)Cl)O)OC)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C(=C3)Cl)O)OC)(C)C)C

InChI

InChI=1S/C22H26ClNO5/c1-6-29-21(27)17-11(2)24-14-9-22(3,4)10-15(25)19(14)18(17)12-7-13(23)20(26)16(8-12)28-5/h7-9,18-19,24,26H,6,10H2,1-5H3