butyl (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: butyl (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: butyl (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(3-hydroxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC(=CC=C3)O)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC(=CC=C3)O)C

InChI

InChI=1S/C21H25NO4/c1-3-4-11-26-21(25)18-13(2)22-16-9-6-10-17(24)20(16)19(18)14-7-5-8-15(23)12-14/h5,7-8,12,19-20,23H,3-4,6,9-11H2,1-2H3/t19-,20+/m0/s1