2-cyano-3-(2-oxidanylnaphthalen-1-yl)propanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-3-(2-oxidanylnaphthalen-1-yl)propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(2-hydroxy-1-naphthyl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(2-hydroxy-1-naphthalenyl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(2-hydroxynaphthalen-1-yl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(2-hydroxy-1-naphthyl)propionate; dicyclohexylammonium Formula: C26H34N2O3 MolecularWeight: 422.55976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C=CC(=C2CC(C#N)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C=CC(=C2CC(C#N)C(=O)[O-])O

InChI

InChI=1S/C14H11NO3.C12H23N/c15-8-10(14(17)18)7-12-11-4-2-1-3-9(11)5-6-13(12)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-6,10,16H,7H2,(H,17,18);11-13H,1-10H2