6-bromanyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(4-tert-butoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(4-tert-butoxycarbonylbenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H24BrNO5 MolecularWeight: 534.39786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H24BrNO5/c1-28(2,3)35-27(34)19-11-9-17(10-12-19)16-30-24(26(32)33)23(18-7-5-4-6-8-18)22-15-20(29)13-14-21(22)25(30)31/h4-15H,16H2,1-3H3,(H,32,33)