ethyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-5-25-20(24)17-13(2)22-15-11-21(3,4)12-16(23)19(15)18(17)14-9-7-6-8-10-14/h6-11,18-19,22H,5,12H2,1-4H3