N9-[1-(cyclooctylmethyl)piperidin-4-yl]-N2-methyl-9H-xanthene-2,9-dicarboxamide

Systemtic Name: N9-[1-(cyclooctylmethyl)piperidin-4-yl]-N2-methyl-9H-xanthene-2,9-dicarboxamide Openeye Name: N9-[1-(cyclooctylmethyl)-4-piperidyl]-N2-methyl-9H-xanthene-2,9-dicarboxamide CAS Name: N9-[1-(cyclooctylmethyl)-4-piperidinyl]-N2-methyl-9H-xanthene-2,9-dicarboxamide IUPAC Name: 9-N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-N-methyl-9H-xanthene-2,9-dicarboxamide Traditional Name: N'-[1-(cyclooctylmethyl)-4-piperidyl]-N-methyl-9H-xanthene-2,9-dicarboxamide Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CCN(CC4)CC5CCCCCCC5

Isomeric SMILES

CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CCN(CC4)CC5CCCCCCC5

InChI

InChI=1S/C30H39N3O3/c1-31-29(34)22-13-14-27-25(19-22)28(24-11-7-8-12-26(24)36-27)30(35)32-23-15-17-33(18-16-23)20-21-9-5-3-2-4-6-10-21/h7-8,11-14,19,21,23,28H,2-6,9-10,15-18,20H2,1H3,(H,31,34)(H,32,35)