phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-oxidanyl-benzoate

Systemtic Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-oxidanyl-benzoate Openeye Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-hydroxy-benzoate CAS Name: 3-[2-(dimethylaminomethyl)-1-cyclohexenyl]-2-hydroxybenzoic acid phenyl ester IUPAC Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-hydroxybenzoate Traditional Name: 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-hydroxy-benzoic acid phenyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(CCCC1)C2=C(C(=CC=C2)C(=O)OC3=CC=CC=C3)O

Isomeric SMILES

CN(C)CC1=C(CCCC1)C2=C(C(=CC=C2)C(=O)OC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO3/c1-23(2)15-16-9-6-7-12-18(16)19-13-8-14-20(21(19)24)22(25)26-17-10-4-3-5-11-17/h3-5,8,10-11,13-14,24H,6-7,9,12,15H2,1-2H3