[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C20H24BrNO4/c1-11-5-4-6-16(12(11)2)22-18(23)10-25-20(24)19-13(3)15-9-14(21)7-8-17(15)26-19/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,22,23)