butyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=C3OCCC

InChI

InChI=1S/C26H35NO4/c1-6-8-14-31-25(29)22-17(3)27-19-15-26(4,5)16-20(28)24(19)23(22)18-11-9-10-12-21(18)30-13-7-2/h9-12,22-23H,6-8,13-16H2,1-5H3/t22?,23-/m0/s1