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

Systemtic Name: pentyl (4S)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C28H39NO5 MolecularWeight: 469.61296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO5/c1-7-9-10-14-34-27(31)24-18(3)29-20-16-28(4,5)17-21(30)26(20)25(24)19-11-12-22(33-13-8-2)23(15-19)32-6/h11-12,15,25,29H,7-10,13-14,16-17H2,1-6H3/t25-/m1/s1