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

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(4-propylphenyl)benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(4-propylphenyl)benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(4-propylphenyl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(4-propylphenyl)benzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-(4-propylphenyl)benzamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N3O2/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)27(31)30-15-14-23-17-32-25-13-12-22(26(28)29)16-24(23)25/h4-13,16,23H,2-3,14-15,17H2,1H3,(H3,28,29)(H,30,31)