butyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-phenyl-3,4,4a,6-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2C(=O)CC(C=C2N=C1C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1[C@@H]([C@H]2C(=O)CC(C=C2N=C1C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-5-6-12-27-22(26)19-15(2)24-17-13-23(3,4)14-18(25)21(17)20(19)16-10-8-7-9-11-16/h7-11,13,19-21H,5-6,12,14H2,1-4H3/t19?,20-,21+/m0/s1