[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H24BrNO4/c1-15-18-12-17(24)10-11-19(18)29-21(15)22(27)28-14-20(26)25(23(2,3)4)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3