[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)Br

InChI

InChI=1S/C20H22BrNO6/c1-12-7-14(5-6-15(12)21)22-18(23)11-28-19(24)10-13-8-16(25-2)20(27-4)17(9-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,23)