phenethyl 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 2,7,7-trimethyl-5-oxo-4-(3-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CN=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CN=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

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