[butyl-(4-octoxyphenyl)-(phenylcarbonyl)azaniumyl]methanoate

Systemtic Name: [butyl-(4-octoxyphenyl)-(phenylcarbonyl)azaniumyl]methanoate Openeye Name: [benzoyl-butyl-(4-octoxyphenyl)ammonio]formate CAS Name: [benzoyl-butyl-(4-octoxyphenyl)ammonio]formate IUPAC Name: [benzoyl-butyl-(4-octoxyphenyl)azaniumyl]formate Traditional Name: [benzoyl-butyl-(4-octoxyphenyl)ammonio]formate Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[N+](CCCC)(C(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[N+](CCCC)(C(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C26H35NO4/c1-3-5-7-8-9-13-21-31-24-18-16-23(17-19-24)27(26(29)30,20-6-4-2)25(28)22-14-11-10-12-15-22/h10-12,14-19H,3-9,13,20-21H2,1-2H3