butyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2CC(CC(=O)[C@@H]2[C@@H]1C3=CC=CC=C3)(C)C)C

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/h7-11,20-21H,5-6,12-14H2,1-4H3/t20-,21-/m1/s1