6-bromanyl-2-[[4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]amino]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[[(E)-4-ethoxy-4-keto-but-2-enoyl]amino]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H23BrN2O6 MolecularWeight: 575.40672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H23BrN2O6/c1-2-38-25(34)15-14-24(33)31-21-11-8-18(9-12-21)17-32-27(29(36)37)26(19-6-4-3-5-7-19)23-16-20(30)10-13-22(23)28(32)35/h3-16H,2,17H2,1H3,(H,31,33)(H,36,37)/b15-14+