6-bromanyl-1-oxidanylidene-2-[[1-(4-oxidanyl-4-oxidanylidene-butanoyl)piperidin-4-yl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-2-[[1-(4-oxidanyl-4-oxidanylidene-butanoyl)piperidin-4-yl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[1-(4-hydroxy-4-oxo-butanoyl)-4-piperidyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[1-(4-hydroxy-1,4-dioxobutyl)-4-piperidinyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[1-(4-hydroxy-4-oxobutanoyl)piperidin-4-yl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[[1-(4-hydroxy-4-keto-butanoyl)-4-piperidyl]methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H25BrN2O6 MolecularWeight: 541.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C26H25BrN2O6/c27-18-6-7-19-20(14-18)23(17-4-2-1-3-5-17)24(26(34)35)29(25(19)33)15-16-10-12-28(13-11-16)21(30)8-9-22(31)32/h1-7,14,16H,8-13,15H2,(H,31,32)(H,34,35)