[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)Br

InChI

InChI=1S/C21H22BrNO5/c1-14-10-16(7-8-19(14)22)23-20(24)13-28-21(25)15-4-2-5-17(11-15)27-12-18-6-3-9-26-18/h2,4-5,7-8,10-11,18H,3,6,9,12-13H2,1H3,(H,23,24)