(phenylmethyl) 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4)Br)O

InChI

InChI=1S/C25H24BrNO5/c1-14-21(25(30)32-13-15-7-4-3-5-8-15)22(23-18(27-14)9-6-10-19(23)28)16-11-17(26)24(29)20(12-16)31-2/h3-5,7-8,11-12,21-22,27,29H,1,6,9-10,13H2,2H3