N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]-4-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenyl-pentan-3-yl]-4-(3,4-dimethoxyphenyl)benzamide Openeye Name: N-[2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-1-phenethyl-propyl]-4-(3,4-dimethoxyphenyl)benzamide CAS Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-(3,4-dimethoxyphenyl)benzamide IUPAC Name: N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-(3,4-dimethoxyphenyl)benzamide Traditional Name: N-[2-(3-amidinobenzyl)-3-hydroxy-1-phenethyl-propyl]-4-(3,4-dimethoxyphenyl)benzamide Formula: C34H37N3O4 MolecularWeight: 551.67528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CCC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CCC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO)OC

InChI

InChI=1S/C34H37N3O4/c1-40-31-18-16-27(21-32(31)41-2)25-12-14-26(15-13-25)34(39)37-30(17-11-23-7-4-3-5-8-23)29(22-38)20-24-9-6-10-28(19-24)33(35)36/h3-10,12-16,18-19,21,29-30,38H,11,17,20,22H2,1-2H3,(H3,35,36)(H,37,39)