dicyclohexylazanium; 4-oxidanylidene-2-phenyl-4-propoxy-butanoic acid

Systemtic Name: dicyclohexylazanium; 4-oxidanylidene-2-phenyl-4-propoxy-butanoic acid Openeye Name: dicyclohexylammonium; 4-oxo-2-phenyl-4-propoxy-butanoic acid CAS Name: dicyclohexylammonium; 4-oxo-2-phenyl-4-propoxybutanoic acid IUPAC Name: dicyclohexylazanium; 4-oxo-2-phenyl-4-propoxybutanoic acid Traditional Name: dicyclohexylammonium; 4-keto-2-phenyl-4-propoxy-butyric acid Formula: C25H40NO4+ MolecularWeight: 418.5894

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCCOC(=O)CC(C1=CC=CC=C1)C(=O)O.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C13H16O4.C12H23N/c1-2-8-17-12(14)9-11(13(15)16)10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,11H,2,8-9H2,1H3,(H,15,16);11-13H,1-10H2/p+1