9-[4-[4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid

Systemtic Name: 9-[4-[4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid Openeye Name: 9-[4-[4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid CAS Name: 9-[4-[4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinyl]butyl]-9-fluorenecarboxylic acid IUPAC Name: 9-[4-[4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid Traditional Name: 9-[4-[4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazino]butyl]fluorene-9-carboxylic acid Formula: C36H41N3O3 MolecularWeight: 563.72904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCCC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)O

InChI

InChI=1S/C36H41N3O3/c40-34-31-24-28(17-16-26(31)25-39(34)27-10-2-1-3-11-27)38-22-20-37(21-23-38)19-9-8-18-36(35(41)42)32-14-6-4-12-29(32)30-13-5-7-15-33(30)36/h4-7,12-17,24,27H,1-3,8-11,18-23,25H2,(H,41,42)