4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate; dicyclohexylazanium

Systemtic Name: 4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate; dicyclohexylazanium Openeye Name: 4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butanoate; dicyclohexylammonium CAS Name: 4-[2-cyano-5-(3-pyridinylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate; dicyclohexylammonium IUPAC Name: 4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate; dicyclohexylazanium Traditional Name: 4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butyrate; dicyclohexylammonium Formula: C36H45N3O4 MolecularWeight: 583.7602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C24H22N2O4.C12H23N/c1-17-5-2-3-7-21(17)22(10-11-24(27)28)30-23-13-20(9-8-19(23)14-25)29-16-18-6-4-12-26-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-9,12-13,15,22H,10-11,16H2,1H3,(H,27,28);11-13H,1-10H2