4-tert-butyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]benzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-tert-butyl-benzamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O2/c1-22(2,3)17-7-4-14(5-8-17)21(26)25-11-10-16-13-27-19-9-6-15(20(23)24)12-18(16)19/h4-9,12,16H,10-11,13H2,1-3H3,(H3,23,24)(H,25,26)