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

Systemtic Name: (phenylmethyl) 4-(3-bromanyl-4-methoxy-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-bromo-4-methoxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-bromo-4-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H24BrNO4 MolecularWeight: 482.36636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO4/c1-15-22(25(29)31-14-16-7-4-3-5-8-16)23(17-11-12-21(30-2)18(26)13-17)24-19(27-15)9-6-10-20(24)28/h3-5,7-8,11-13,22-23,27H,1,6,9-10,14H2,2H3