pentyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-p-phenetyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)OCC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C26H35NO4/c1-6-8-9-14-31-25(29)22-17(3)27-20-15-26(4,5)16-21(28)24(20)23(22)18-10-12-19(13-11-18)30-7-2/h10-13,23,27H,6-9,14-16H2,1-5H3/t23-/m1/s1