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

Systemtic Name: 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)-1-ethyl-2-piperazin-1-yl-9H-fluorene-9-carboxylic acid Openeye Name: 4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)-1-ethyl-2-piperazin-1-yl-9H-fluorene-9-carboxylic acid CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-ethyl-2-(1-piperazinyl)-9H-fluorene-9-carboxylic acid IUPAC Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-ethyl-2-piperazin-1-yl-9H-fluorene-9-carboxylic acid Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-5-yl)-1-ethyl-2-piperazino-9H-fluorene-9-carboxylic acid Formula: C34H37N3O3 MolecularWeight: 535.67588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C2=C1C(C3=CC=CC=C32)C(=O)O)C4=CC5=C(CN(C5=O)C6CCCCC6)C=C4)N7CCNCC7

Isomeric SMILES

CCC1=C(C=C(C2=C1C(C3=CC=CC=C32)C(=O)O)C4=CC5=C(CN(C5=O)C6CCCCC6)C=C4)N7CCNCC7

InChI

InChI=1S/C34H37N3O3/c1-2-24-29(36-16-14-35-15-17-36)19-27(30-25-10-6-7-11-26(25)32(31(24)30)34(39)40)21-12-13-22-20-37(33(38)28(22)18-21)23-8-4-3-5-9-23/h6-7,10-13,18-19,23,32,35H,2-5,8-9,14-17,20H2,1H3,(H,39,40)