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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C=CC(=C2O)CC(C#N)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C2C(=C1)C=CC(=C2O)CC(C#N)C(=O)[O-]

InChI

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