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

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=NC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=NC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C26H28N2O3/c1-17-22(25(30)31-14-11-18-7-5-4-6-8-18)23(19-9-12-27-13-10-19)24-20(28-17)15-26(2,3)16-21(24)29/h4-10,12-13,22-23H,11,14-16H2,1-3H3/t22?,23-/m1/s1