2-[4-(8-cyclohexyloctylamino)phenyl]carbonyloxybutanedioic acid

Systemtic Name: 2-[4-(8-cyclohexyloctylamino)phenyl]carbonyloxybutanedioic acid Openeye Name: 2-[4-(8-cyclohexyloctylamino)benzoyl]oxybutanedioic acid CAS Name: 2-[[4-(8-cyclohexyloctylamino)phenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[4-(8-cyclohexyloctylamino)benzoyl]oxybutanedioic acid Traditional Name: 2-[4-(8-cyclohexyloctylamino)benzoyl]oxysuccinic acid Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCCCCCCCNC2=CC=C(C=C2)C(=O)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H37NO6/c27-23(28)18-22(24(29)30)32-25(31)20-13-15-21(16-14-20)26-17-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h13-16,19,22,26H,1-12,17-18H2,(H,27,28)(H,29,30)