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

Systemtic Name: ethyl 2,7,7-trimethyl-5-oxidanylidene-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(phenylmethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-benzyl-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1CC3=CC=CC=C3)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1CC3=CC=CC=C3)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H27NO3/c1-5-26-21(25)19-14(2)23-17-12-22(3,4)13-18(24)20(17)16(19)11-15-9-7-6-8-10-15/h6-10,16,23H,5,11-13H2,1-4H3