cyclopentyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C26H32BrNO5 MolecularWeight: 518.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C)Br)O

InChI

InChI=1S/C26H32BrNO5/c1-5-32-20-11-15(10-17(27)24(20)30)22-21(25(31)33-16-8-6-7-9-16)14(2)28-18-12-26(3,4)13-19(29)23(18)22/h10-11,16,22-23,30H,5-9,12-13H2,1-4H3/t22-,23?/m1/s1