ethanedioic acid; 1-[4-[9-(phenylmethyl)fluoren-9-yl]but-2-ynyl]azepane

Systemtic Name: ethanedioic acid; 1-[4-[9-(phenylmethyl)fluoren-9-yl]but-2-ynyl]azepane Openeye Name: 1-[4-(9-benzylfluoren-9-yl)but-2-ynyl]azepane; oxalic acid CAS Name: oxalic acid; 1-[4-[9-(phenylmethyl)-9-fluorenyl]but-2-ynyl]azepane IUPAC Name: 1-[4-(9-benzylfluoren-9-yl)but-2-ynyl]azepane; oxalic acid Traditional Name: 1-[4-(9-benzylfluoren-9-yl)but-2-ynyl]azepane; oxalic acid Formula: C32H33NO4 MolecularWeight: 495.60872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCC2(C3=CC=CC=C3C4=CC=CC=C42)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CC#CCC2(C3=CC=CC=C3C4=CC=CC=C42)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H31N.C2H2O4/c1-2-12-22-31(21-11-1)23-13-10-20-30(24-25-14-4-3-5-15-25)28-18-8-6-16-26(28)27-17-7-9-19-29(27)30;3-1(4)2(5)6/h3-9,14-19H,1-2,11-12,20-24H2;(H,3,4)(H,5,6)