3-[2-[2-(dimethylaminomethyl)cyclohexen-1-yl]phenyl]-2-(dimethylcarbamoyloxy)benzoic acid

Systemtic Name: 3-[2-[2-(dimethylaminomethyl)cyclohexen-1-yl]phenyl]-2-(dimethylcarbamoyloxy)benzoic acid Openeye Name: 3-[2-[2-(dimethylaminomethyl)cyclohexen-1-yl]phenyl]-2-(dimethylcarbamoyloxy)benzoic acid CAS Name: 3-[2-[2-(dimethylaminomethyl)-1-cyclohexenyl]phenyl]-2-[dimethylamino(oxo)methoxy]benzoic acid IUPAC Name: 3-[2-[2-(dimethylaminomethyl)cyclohexen-1-yl]phenyl]-2-(dimethylcarbamoyloxy)benzoic acid Traditional Name: 3-[2-[2-(dimethylaminomethyl)cyclohexen-1-yl]phenyl]-2-(dimethylcarbamoyloxy)benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(CCCC1)C2=CC=CC=C2C3=C(C(=CC=C3)C(=O)O)OC(=O)N(C)C

Isomeric SMILES

CN(C)CC1=C(CCCC1)C2=CC=CC=C2C3=C(C(=CC=C3)C(=O)O)OC(=O)N(C)C

InChI

InChI=1S/C25H30N2O4/c1-26(2)16-17-10-5-6-11-18(17)19-12-7-8-13-20(19)21-14-9-15-22(24(28)29)23(21)31-25(30)27(3)4/h7-9,12-15H,5-6,10-11,16H2,1-4H3,(H,28,29)