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

Systemtic Name: (phenylmethyl) (4R)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl (4R)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C26H27NO3/c1-17-22(25(29)30-16-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24-20(27-17)14-26(2,3)15-21(24)28/h4-13,22-23H,14-16H2,1-3H3/t22?,23-/m0/s1