6-bromanyl-1-oxidanylidene-2-[[1-(5-oxidanyl-5-oxidanylidene-pentanoyl)piperidin-4-yl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-2-[[1-(5-oxidanyl-5-oxidanylidene-pentanoyl)piperidin-4-yl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[1-(5-hydroxy-5-oxo-pentanoyl)-4-piperidyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[1-(5-hydroxy-1,5-dioxopentyl)-4-piperidinyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[1-(5-hydroxy-5-oxopentanoyl)piperidin-4-yl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[[1-(5-hydroxy-5-keto-pentanoyl)-4-piperidyl]methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrN2O6/c28-19-9-10-20-21(15-19)24(18-5-2-1-3-6-18)25(27(35)36)30(26(20)34)16-17-11-13-29(14-12-17)22(31)7-4-8-23(32)33/h1-3,5-6,9-10,15,17H,4,7-8,11-14,16H2,(H,32,33)(H,35,36)