[2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-keto-2-[1-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2OC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2OC)Br)OC

InChI

InChI=1S/C21H24BrNO6/c1-5-28-18-11-14(10-16(22)20(18)27-4)21(25)29-12-19(24)23-13(2)15-8-6-7-9-17(15)26-3/h6-11,13H,5,12H2,1-4H3,(H,23,24)