(3-ethoxycarbonylphenyl)methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (3-ethoxycarbonylphenyl)methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid (3-ethoxycarbonylphenyl)methyl ester IUPAC Name: (3-ethoxycarbonylphenyl)methyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid (3-carbethoxybenzyl) ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO4/c1-2-31-25(29)19-10-6-7-17(13-19)16-32-26(30)22-15-24(18-8-4-3-5-9-18)28-23-12-11-20(27)14-21(22)23/h3-15H,2,16H2,1H3