ethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC)Br)O

InChI

InChI=1S/C23H28BrNO5/c1-6-29-17-9-13(8-14(24)21(17)27)19-18(22(28)30-7-2)12(3)25-15-10-23(4,5)11-16(26)20(15)19/h8-9,18-19,25,27H,3,6-7,10-11H2,1-2,4-5H3