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

Systemtic Name: propyl (4S,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-2-methyl-4-o-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=CC=C3OCC)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=CC=C3OCC)C

InChI

InChI=1S/C22H27NO4/c1-4-13-27-22(25)19-14(3)23-16-10-8-11-17(24)21(16)20(19)15-9-6-7-12-18(15)26-5-2/h6-7,9,12,20-21H,4-5,8,10-11,13H2,1-3H3/t20-,21+/m0/s1