(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(cyclohexen-1-yl)ethylamino]benzoate CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCCC2=CCCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCCC2=CCCCC2

InChI

InChI=1S/C21H29NO3/c1-21(2,3)19(23)15-25-20(24)17-11-7-8-12-18(17)22-14-13-16-9-5-4-6-10-16/h7-9,11-12,22H,4-6,10,13-15H2,1-3H3