cyclopentyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-4-(5-bromo-2-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(5-bromo-2-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C25H30BrNO4 MolecularWeight: 488.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=C(C=CC(=C4)Br)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCC3)C4=C(C=CC(=C4)Br)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H30BrNO4/c1-14-21(24(29)31-16-7-5-6-8-16)22(17-11-15(26)9-10-20(17)30-4)23-18(27-14)12-25(2,3)13-19(23)28/h9-11,16,21-22H,5-8,12-13H2,1-4H3/t21?,22-/m1/s1