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

Systemtic Name: N9-[1-(cyclooctylmethyl)piperidin-4-yl]-N2-(phenylmethyl)-9H-xanthene-2,9-dicarboxamide Openeye Name: N2-benzyl-N9-[1-(cyclooctylmethyl)-4-piperidyl]-9H-xanthene-2,9-dicarboxamide CAS Name: N9-[1-(cyclooctylmethyl)-4-piperidinyl]-N2-(phenylmethyl)-9H-xanthene-2,9-dicarboxamide IUPAC Name: 2-N-benzyl-9-N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-2,9-dicarboxamide Traditional Name: N-benzyl-N'-[1-(cyclooctylmethyl)-4-piperidyl]-9H-xanthene-2,9-dicarboxamide Formula: C36H43N3O3 MolecularWeight: 565.74492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)NCC6=CC=CC=C6

Isomeric SMILES

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C36H43N3O3/c40-35(37-24-26-11-7-4-8-12-26)28-17-18-33-31(23-28)34(30-15-9-10-16-32(30)42-33)36(41)38-29-19-21-39(22-20-29)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-18,23,27,29,34H,1-3,5-6,13-14,19-22,24-25H2,(H,37,40)(H,38,41)