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

Systemtic Name: pentyl (4S,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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