2-phenoxyethyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,4aS)-2-methyl-5-oxo-4-(4-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-5-oxo-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,4aS)-2-methyl-5-oxo-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-(4-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H24N2O4/c1-16-21(24(28)30-15-14-29-18-6-3-2-4-7-18)22(17-10-12-25-13-11-17)23-19(26-16)8-5-9-20(23)27/h2-4,6-8,10-13,21-23H,5,9,14-15H2,1H3/t21?,22-,23+/m1/s1