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

Systemtic Name: (phenylmethyl) (4R)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl (4R)-2,7,7-trimethyl-5-oxo-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-16-21(24(29)30-15-17-7-5-4-6-8-17)22(18-9-11-26-12-10-18)23-19(27-16)13-25(2,3)14-20(23)28/h4-12,21-22H,13-15H2,1-3H3/t21?,22-/m0/s1