methyl 3-(2-prop-2-enoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-(2-prop-2-enoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)-1-benzofuran-5-carboxylate Openeye Name: methyl 3-(2-allyloxyphenyl)-2-(1,1,3,3-tetramethylbutylamino)benzofuran-5-carboxylate CAS Name: 3-(2-prop-2-enoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-(2-prop-2-enoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)-1-benzofuran-5-carboxylate Traditional Name: 3-(2-allyloxyphenyl)-2-(1,1,3,3-tetramethylbutylamino)benzofuran-5-carboxylic acid methyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C3=CC=CC=C3OCC=C

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C3=CC=CC=C3OCC=C

InChI

InChI=1S/C27H33NO4/c1-8-15-31-21-12-10-9-11-19(21)23-20-16-18(25(29)30-7)13-14-22(20)32-24(23)28-27(5,6)17-26(2,3)4/h8-14,16,28H,1,15,17H2,2-7H3