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

Systemtic Name: pentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCCC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OCCC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C27H37NO4/c1-6-8-11-15-32-26(30)23-18(3)28-20-16-27(4,5)17-21(29)25(20)24(23)19-12-9-10-13-22(19)31-14-7-2/h9-10,12-13,24,28H,6-8,11,14-17H2,1-5H3/t24-/m1/s1