[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-13(2)25-11-15-4-6-16(7-5-15)20(24)26-12-19(23)22-17-8-9-18(21)14(3)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,23)