6-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]-7-methyl-6-phenyl-octanoic acid

Systemtic Name: 6-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]-7-methyl-6-phenyl-octanoic acid Openeye Name: 6-[(2,5-dioxopyrrolidin-1-yl)methyl]-7-methyl-6-phenyl-octanoic acid CAS Name: 6-[(2,5-dioxo-1-pyrrolidinyl)methyl]-7-methyl-6-phenyloctanoic acid IUPAC Name: 6-[(2,5-dioxopyrrolidin-1-yl)methyl]-7-methyl-6-phenyloctanoic acid Traditional Name: 7-methyl-6-phenyl-6-(succinimidomethyl)caprylic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)O)(CN1C(=O)CCC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCCCC(=O)O)(CN1C(=O)CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO4/c1-15(2)20(13-7-6-10-19(24)25,16-8-4-3-5-9-16)14-21-17(22)11-12-18(21)23/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H,24,25)