(phenylmethyl) 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCC4=CC=CC=C4

InChI

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