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

Systemtic Name: 4-butyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-butyl-cyclohexanecarboxamide Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H33N3O2/c1-2-3-4-15-5-7-16(8-6-15)22(26)25-12-11-18-14-27-20-10-9-17(21(23)24)13-19(18)20/h9-10,13,15-16,18H,2-8,11-12,14H2,1H3,(H3,23,24)(H,25,26)