pentyl (4R,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4R,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4R,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R,4aR)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2-methyl-4-o-phenetyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCCOC(=O)C1[C@@H]([C@H]2C(=O)CCC=C2N=C1C)C3=CC=CC=C3OCC

InChI

InChI=1S/C24H31NO4/c1-4-6-9-15-29-24(27)21-16(3)25-18-12-10-13-19(26)23(18)22(21)17-11-7-8-14-20(17)28-5-2/h7-8,11-12,14,21-23H,4-6,9-10,13,15H2,1-3H3/t21?,22-,23+/m0/s1