4-(3-azanylpropyl)-2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-ethyl-benzamide

Systemtic Name: 4-(3-azanylpropyl)-2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-ethyl-benzamide Openeye Name: 4-(3-aminopropyl)-2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-3-ethyl-benzamide CAS Name: 4-(3-aminopropyl)-2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-3-ethylbenzamide IUPAC Name: 4-(3-aminopropyl)-2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-ethylbenzamide Traditional Name: 2-(5-amidinocoumaran-3-yl)-4-(3-aminopropyl)-3-ethyl-benzamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)CCCN

Isomeric SMILES

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)CCCN

InChI

InChI=1S/C21H26N4O2/c1-2-14-12(4-3-9-22)5-7-15(21(25)26)19(14)17-11-27-18-8-6-13(20(23)24)10-16(17)18/h5-8,10,17H,2-4,9,11,22H2,1H3,(H3,23,24)(H2,25,26)