2-propan-2-yloxyethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-propan-2-yloxyethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-isopropoxyethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-4-(3-hydroxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-isopropoxyethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCCOC(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-13(2)27-10-11-28-22(26)19-14(3)23-17-8-5-9-18(25)21(17)20(19)15-6-4-7-16(24)12-15/h4,6-8,12-13,19-21,24H,5,9-11H2,1-3H3/t19?,20-,21+/m0/s1