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

Systemtic Name: (phenylmethyl) 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid benzyl ester Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4)Br)O

InChI

InChI=1S/C26H26BrNO5/c1-3-32-21-13-17(12-18(27)25(21)30)23-22(26(31)33-14-16-8-5-4-6-9-16)15(2)28-19-10-7-11-20(29)24(19)23/h4-6,8-9,12-13,22-23,28,30H,2-3,7,10-11,14H2,1H3