N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide

Systemtic Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide Openeye Name: N-[2-[(3-carbamimidoylphenyl)methyl]-1-ethyl-3-hydroxy-propyl]-4-(3-ethylphenyl)benzamide CAS Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide IUPAC Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)pentan-3-yl]-4-(3-ethylphenyl)benzamide Traditional Name: N-[2-(3-amidinobenzyl)-1-ethyl-3-hydroxy-propyl]-4-(3-ethylphenyl)benzamide Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C(=N)N)CO

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC)C(CC3=CC=CC(=C3)C(=N)N)CO

InChI

InChI=1S/C28H33N3O2/c1-3-19-7-5-9-23(15-19)21-11-13-22(14-12-21)28(33)31-26(4-2)25(18-32)17-20-8-6-10-24(16-20)27(29)30/h5-16,25-26,32H,3-4,17-18H2,1-2H3,(H3,29,30)(H,31,33)