methyl 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylate

Systemtic Name: methyl 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylate Openeye Name: methyl 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzofuran-4-carboxylate CAS Name: 7-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-4-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-1-benzofuran-4-carboxylate Traditional Name: 7-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzofuran-4-carboxylic acid methyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C4C(=C(C=C3)C(=O)OC)C=CO4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C4C(=C(C=C3)C(=O)OC)C=CO4

InChI

InChI=1S/C27H30N2O4/c1-4-6-7-18(5-2)26(30)28-21-10-8-19-12-14-29(24(19)16-21)17-20-9-11-23(27(31)32-3)22-13-15-33-25(20)22/h8-16,18H,4-7,17H2,1-3H3,(H,28,30)