(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-benzyloxyphenyl)-6-bromo-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C30H28BrNO4 MolecularWeight: 546.45162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C(C)(C)C)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C(C)(C)C)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28BrNO4/c1-19-27(29(34)36-18-26(33)30(2,3)4)24-16-22(31)12-15-25(24)32-28(19)21-10-13-23(14-11-21)35-17-20-8-6-5-7-9-20/h5-16H,17-18H2,1-4H3