phenethyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O)Br)O

InChI

InChI=1S/C27H28BrNO5/c1-3-33-22-15-18(14-19(28)26(22)31)24-23(16(2)29-20-10-7-11-21(30)25(20)24)27(32)34-13-12-17-8-5-4-6-9-17/h4-6,8-9,14-15,24-25,31H,3,7,10-13H2,1-2H3/t24-,25?/m1/s1