[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C19H20BrNO3/c1-12-7-8-15(9-13(12)2)14(3)21-18(22)11-24-19(23)16-5-4-6-17(20)10-16/h4-10,14H,11H2,1-3H3,(H,21,22)