phenethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H24BrNO5 MolecularWeight: 510.37646

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H24BrNO5/c1-15-23(26(30)31-11-10-16-6-3-2-4-7-16)24(25-19(28-15)8-5-9-20(25)29)17-12-21-22(13-18(17)27)33-14-32-21/h2-4,6-7,12-13,23-24,28H,1,5,8-11,14H2