[4-[3-(cyclooctylamino)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [4-[3-(cyclooctylamino)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[3-(cyclooctylamino)-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[3-(cyclooctylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-(cyclooctylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-(cyclooctylamino)-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C26H33NO7 MolecularWeight: 471.54272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NCC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CCC1)NCC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31NO3.C2H2O4/c26-22(17-25-21-11-7-2-1-3-8-12-21)18-28-23-15-13-20(14-16-23)24(27)19-9-5-4-6-10-19;3-1(4)2(5)6/h4-6,9-10,13-16,21-22,25-26H,1-3,7-8,11-12,17-18H2;(H,3,4)(H,5,6)