[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C20H22BrNO4/c1-13-5-6-16(14(2)9-13)11-22(3)19(23)12-26-20(24)15-7-8-18(25-4)17(21)10-15/h5-10H,11-12H2,1-4H3